Untitled Document

Selected Publications
Penta-graphene: A new carbon allotrope Shunhong Zhang, Jian Zhou, Qian Wang, X-H. Chen, Y. Kawazoe, and Puru Jena PNAS* (Proc. Natl. Acad. Sci.) 112, 2372 (2015) pdf Stable three-dimensional metallic carbon with interlocking hexagons S. Zhang, Qian Wang, X. Chen, and Puru Jena PNAS* (Proc. Natl. Acad. Sci). (IP=9.737)110 (2013) 18809 pdf (News Report) Electric field enhanced hydrogen storage on polarizable materials substrates J. Zhou, *Qian Wang, Qiang Sun, P. Jena, and X.S. Chen PNAS* 107, 2801(2010) pdf (News Report) Ferromagnetism in Mn-doped GaN Nanowires Q. Wang, Q. Sun, and P. Jena Phys. Rev. Lett. 95, (2005) 167202 pdf Anti-ferromagnetic Coupling Driven by Bond Length Contraction Near GaMnN Film Surface Q. Wang, Q. Sun, P. Jena, and Y. Kawazoe Phys. Rev. Lett. 93 (2004) 155501 pdf Electronic structure and bonding of Au on SiO2 cluster: A nano bullet for tumors Q. Sun, Q. Wang, B. K. Rao, and P. Jena Phys. Rev. Lett. 93 (2004) 186803 pdf Comment on 'Fully Coordinated Silica Nanoclusters: (SiO2)N Molecular Rings' Q. Sun, Q. Wang, and P. Jena Phys. Rev. Lett. 92 (2004) 039601 pdf Stabilization of Si60 Cage Structure Q. Sun, Q. Wang, P. Jena, B. K. Rao, and Y. Kawazoe Phys. Rev. Lett. 90 (2003) 135503 pdf Ferromagnetism in Semi-hydrogenated Graphene Sheet J. Zhou, Qian Wang, Q. Sun, X. S. Chen, Y. Kawazoe, and P. Jena Nano Letters* 9（2009）3867 pdf (News Report) Ferromagnetic GaN-Cr Nanowires Q. Wang, Q. Sun, P. Jena, and Y. Kawazoe Nano Letters* 5, (2005) 1587 pdf Storage of molecular hydrogen in B-N cage: Energetics and thermal stability. Q. Sun, Q. Wang , and P. Jena Nano Letters 5 (2005) 1273 pdf Three-dimensional Metallic Boron Nitride S. Zhang, Qian Wang, Y. Kawazoe, and Puru Jena J. Am. Chem. Soc. (IP=10.677) 135, (2013) 18216 pdf First Principles Study of Hydrogen Storageon Li12C60 Qiang Sun, Puru Jena, Qian Wang, and Manuel Marquez J. Am. Chem. Soc.* 128, (2006) 9742 pdf Clustering of Ti on a C60 Fullerene and Its Effect on Hydrogen Adsorption Q. Sun , Q. Wang, P. Jena, and Y. Kawazoe J. Am. Chem. Soc. (Communication) 127, (2005)14582 pdf Potential of AlN Nanostructures as Hydrogen Storage Materials Qian Wang, Q. Sun, P. Jena, and Y. Kawazoe ACS NANO 3, 621 (2009) pdf Design of Janus nanoparticles with atomic precision: Tungsten-doped gold nanostructures Qiang Sun, *Qian Wang, Puru Jena, and Y. kawazoe ACS NANO* 2, 341 (2008) pdf 1. Patterning Graphitic C-N Sheets into Kagome Lattice for Magnetic Materials. Xiaowei Li, Jian Zhou, *Qian Wang*, Yushiyuki Kawazoe, and Puru Jena J. Phys. Chem. Lett. 4, 259-263 (2013) pdf Density Functional Theory Study of the Interaction of Hydrogen with Li6C60 Qian Wang, and Puru Jena J. Phys. Chem. Lett. 3, 1084 （2012）pdf Strain-Induced Spin Crossover in Phthalocyanine-Based Organometallic Sheets. Jian Zhou, Qian Wang, Qiang Sun, Yoshiyuki Kawazoe, and Puru Jena, J. Phys. Chem. Lett.* 3, 3109 (2012). pdf Manganese-Based Magnetic Superhalogens Miao Miao Wu, Haopeng Wang, Yeon Jae Ko, Qian Wang, Qiang Sun, Boggavarapu Kiran, Anil K. Kandalam, Kit H. Bowen, and Puru Jena Angew. Chem. Int. Ed. 50, 2568 (2011) pdf
Recent 100 Publications
Penta-graphene: A new carbon allotrope Shunhong Zhang, Jian Zhou, Qian Wang, X-H. Chen, Y. Kawazoe, and Puru Jena Proc. Natl. Acad. Sci.* 112, 2372 (2015) pdf Experimental observation of TiN12+ cluster and theoretical investigation of its stable and metastable isomers Ke-Wei Ding, Xiao-Wei Li, H-G. Xu, T-Q. Li, Z-X Ge, Qian Wang, and Wei-Jun Zheng Chem. Sci. 6, 4723-4729, 2015 pdf A New Silicon Phase with Direct Band Gap and Novel Optoelectronic Properties Yaguang Guo, Qian Wang, Yoshiyuki. Kawazoe, and Puru Jena Scientific Reports* DOI:10.1038/srep14342 pdf Thermoelectric Properties of Single-layer SnSe Sheet Fancy Qian Wang, Shunhong Zhang, Jiabing Yu, and Qian Wang* Nanoscale Accepted Self-assembly of metal atoms (Na, K, Ca) on graphene Jian Zhou, Shunhong Zhang, *Qian Wang, Yoshiyuki Kawazoe, and Puru Jena Nanoscale* 7, 2352-2359, 2015 pdf High-temperature superconductivity in heavily N- or B-doped graphene Jian Zhou, Qiang Sun, *Qian Wang, and Puru Jena Phys. Rev. B* 92, 064505 (2015) pdf Giant magnetocrystalline anisotropy of 5d transition metal-based phthalocyanine sheet Jian Zhou, *Qian Wang, Qiang Sun, Yoshiyuki Kawazoe, and Puru Jena Phys. Chem. Chem. Phys. 17, 17182 (2015) pdf Robust ferromagnetism in monolayer chromium nitride Shunhong Zhang, Yawei Li, Tianshan Zhao, and Qian Wang Scientific Reports 4, 5241 (2014) pdf Electronic and Optical Properties of Silicon based Porous sheets Yaguang Guo, Shunhong Zhang, and Qian Wang* Phys. Chem. Chem. Phys. 16, 16832 (2014) pdf Tuning Electronic and Magnetic Properties of Silicene with Magnetic Superhalogens Tianshan Zhao, Shunhong Zhang, Qian Wang, Yoshiyuki Kawazoe, and Puru Jena Phys. Chem. Chem. Phys.* 16, 22915-23494 (2014) (Cover Paper) Structural, electronic and magnetic properties of neutral and anionic Fe2(BO2)n (n=1~3) clusters H-M Zhao, Xa Lin, YW. Li, Qian Wang, and P .Jena Physics Letters A* 378, 2959-2964 (2014) pdf Pressure-induced magnetic crossover driven by hydrogen bonding in CuF2(H2O)2(3-chloropyridine) Kenneth R. O’Neal, Tatiana V. Brinzari, Joshua B. Wright, Chunli Ma, Santanab Giri, John A. Schlueter, *Qian Wang, Puru Jena, Zhenxian Liu, and Janice L. Musfeldt1 Scientific Reports* 4, 6054 (2014) pdf Self-consistent determination of Hubbard U for explaining the anomalous magnetism of the Gd13 cluster Kun Tao, J. Zhou, Q. Sun, *Qian Wang, V. S. Stepanyuk, and Puru Jena Phys. Rev. B* 89, 085103 (2014) pdf Tailoring Li adsorption on graphene J. Zhou, Q. Sun, *Qian Wang, and Puru Jena Phys. Rev. B* 90, 205427 (2014) pdf Patterning Graphitic C-N Sheets into Kagome Lattice for Magnetic Materials. Xiaowei Li, Jian Zhou, *Qian Wang*, Yushiyuki Kawazoe, and Puru Jena J. Phys. Chem. Lett. 4, 259-263 (2013) pdf Stable three-dimensional metallic carbon with interlocking hexagons S. Zhang, Qian Wang, X. Chen, and Puru Jena PNAS (Proc. Natl. Acad. Sci) 110, 18809 (2013) pdf Three-dimensional Metallic Boron Nitride S. Zhang, *Qian Wang*, Y. Kawazoe, and Puru Jena J. Am. Chem. Soc.135, 18216 (2013) pdf Stability and physical properties of tri-ring based porous g-C4N3 sheet Xiaowei Li, Shunhong Zhang, and Qian Wang** Phys. Chem. Chem. Phys. 15, 7142 (2013) pdb All-Metal Clusters that Mimic the Chemistry of Halogens Tianshan Zhao, Yawei Li, *Qian Wang*, and Puru Jena ChemPhysChem* 14, 3227-3232 (2013) pdb Structure, Stability and Property Modulations of Stoichiometric Graphene Oxide S.H. Zhang, J. Zhou, Qian Wang, and P. Jena J. Phys. Chem. C* 117, 1064 (2013) pdf Structure and properties of Mn4Cl9:Anantiferromagnetic binary hyperhalogen Y. W. Li, S. H. Zhang, Qian Wang, and P. Jena J. Chem. Phys.* 138, 054309 (2013) pdf 超卤素的结构、特性及应用研究进展李亚伟, 王前* 中国科学: 化学, 2013年, 第43卷, 第2期: 142 – 162 pdb Functionalized Graphitic Carbon Nitride for Efficient Energy Storage Menghao Wu, *Qian Wang, Qiang Sun, and Puru Jena J. Phys. Chem. C* 117, 6055 (2013) pdb Communication: In Search of Four-Atom Chiral Metal Clusters Xinxing Zhang, Bradley Visser, Martin Tschurl,2 Evan Collins, Yi Wang, *Qian Wang, Qiang Sun, Puru Jena, Gerd Gantefoer, Ulrich Boesl, Ulrich Heiz, and Kit Bowen J. Chem. Phys* 139, 111101 (2013) pdb Density Functional Theory Study of the Interaction of Hydrogen with Li6C60 *Qian Wang, and Puru Jena J. Phys. Chem. Lett. 3, 1084（2012）pdf Strain-Induced Spin Crossover in Phthalocyanine-Based Organometallic Sheets. Jian Zhou, Qian Wang, Qiang Sun, Yoshiyuki Kawazoe, and Puru Jena, J. Phys. Chem. Lett.* 3, 3109 (2012) pdf Adsorption of oxygen-containing functional groups on free and supported graphene using point contact Qian Wang * , D. X. Ye, Y. Kawazoe, and P. Jena Phys. Rev. B 85, 085404 (2012) pdf Tuning magnetic properties of graphene nanoribbons with topological line defects: From antiferromagnetic to ferromagnetic. Min Kan, Jian Zhou, Qiang Sun, *Qian Wang, Yoshiyuki Kawazoe, and Puru Jena Phys. Rev. B* 85, 155450 (2012) pdf Tunable ferromagnetism in assembled two dimensional triangular graphene nanoflakes Xiaowei Li, and Qian Wang* Phys. Chem. Chem. Phys. 14, 2065 (2012) pdf Magnetism of two-dimensional triangular nanoflake-based kagome lattices Xiaowei Li, Jian Zhou, Qian Wang, Xiaoshuang Chen, Y Kawazoe and P Jena New J. Phys.* 14, 033043 (2012) pdf Magnetic properties of two dimensional silicon carbide triangular nanoflakes-based kagome lattices. Xiaowei Li, Jian Zhou, Qian Wang, and Puru Jena J. Nanopart. Res. 14, 1056 (2012) pdf Magnetism of triangular nanoflakes with different compositions and edge terminations. Shunhong Zhang, Jian Zhou, Xiaowei Li, Qian Wang J. Nanopart. Res. 14, 1171 (2012) pdf Manganese-Based Magnetic Superhalogens Miao Miao Wu, Haopeng Wang, Yeon Jae Ko, Qian Wang, Qiang Sun, Boggavarapu Kiran, Anil K. Kandalam, Kit H. Bowen, and Puru Jena Angew. Chem. Int. Ed. 50, 2568 (2011) pdf Ferromagnetism in Two-Dimensional Carbon Chains Linked by 1,3,5-Benzenetriyl Units Xiaowei Li, Qian Wang, and Puru Jena, J. Phys. Chem. C* 115, 19621, (2011) pdf Enhanced Hydrogen Storage on Li Functionalized BC3 Nanotube Jian Zhou, *Qian Wang, Qiang Sun, and Puru Jena J. Phys. Chem. C* 115, 6136 (2011) pdf Intrinsic ferromagnetism in two-dimensional carbon structures: Triangular graphene nanoflakes linked by carbon chains Jian Zhou, Qian Wang, Qiang Sun, and Puru Jena Phys. Rev. B (Rap Comm) 84, 081402 (2011) pdf Tuning the band gap and magnetic properties of BN sheets impregnated with graphene flakes. M. Kan, J. Zhou, *Qian Wang, Q. Sun, and Puru Jena Phys. Rev. B* 84, 205412 (2011) pdf Effects of charging and doping on orbital hybridizations and distributionsin TiO2 clusters HongMin Zhao MiaoMiaoWu, QianWang, and Puru Jena Physica B* 406, 4322–4326 (2011) pdf Stability and electronic structure of bilayer graphone J. Zhou, *Qian Wang, Q. Sun, and P. Jena Appl. Phys. Lett. 98, 063108 (2011) pdf Sc-phthalocyanine sheet: Promising material for hydrogen storage Kun Lü, Jian Zhou, Le Zhou, Qian Wang, Qiang Sun, and Puru Jena Appl. Phys. Lett. 99, 163104 (2011) pdf Reaction-Induced Magnetic Transition in Mn2 Dimers Miao Miao Wu, Qian Wang, Qiang Sun, and Puru Jena J. Phys Chem. A* 115, 549 (2011) pdf Electronic structures and bonding of graphyne sheet and its BN analog Jian Zhou, Kun Lv, Qian Wang, X. S. Chen, Qiang Sun, and Puru Jena J. Chem. Phys. 134, 174701 (2011) pdf Tuning magnetic properties of Mn4 cluster with gold coating Qian Wang, Qiang Sun, Puru Jena and Yushiyuki Kawazoe Phys. Chem. Chem. Phys.* 12, 1493 (2010) pdf Electric field enhanced hydrogen storage on polarizable materials substrates J. Zhou, *Qian Wang, Qiang Sun, P. Jena, and X.S. Chen PNAS* 107, 2801(2010) pdf Probing the existence of energetically degenerate cluster isomers by chemical tagging Qian Wang, Qiang Sun, and Puru Jena Appl. Phys. Lett. 97, 223104 (2010) pdf First-principles study of hydrogen adsorption in metal-doped COF-10 Miao Miao Wu, Qian Wang, Qiang Sun, Puru Jena, and Yushiyuki Kawazoe J. Chem. Phys. 133, 154706 (2010) pdf Magnetism in ZnO nanowire with Fe/Co co-doping: First principles density functional calculations S. Ghosh, *Qian Wang, G. P.Das, and P. Jena Phys. Rev. B* 81, 235215 (2010) pdf Electronic and magnetic properties of a BN sheet decorated with hydrogen and fluorine J. Zhou, *Qian Wang, Qiang Sun, and P. Jena Phys. Rev. B* 81, 085442 (2010) pdf First-principles study of the effect of vacancies on magnetic properties of Zn1-xCoxO thin films *Qian Wang*, Qiang Sun, and Puru Jena J. Phys.: Condens. Matter* 22, 076002 (2010) pdf Structures of neutral and anionic Au16 clusters revisited Gang Chen, Qian Wang, Qiang Sun, Yoshiyuki Kawazoe, and Puru Jena J. Chem. Phys. 132, 194306 (2010) pdf Geometry, Electronic Properties, and Hydrogen Adsorption Properties of Li3N-Based Nanostructures Z. P. Jiang, X. Zhou, Qiang Sun, *Qian Wang, and Puru Jena J. Phys. Chem. C 114, 19202 (2010) pdf Interaction of C59Si with Si based clusters: a study of Janus nanostructures Miao Miao Wu, Xiao Zhou, Jian Zhou, Qiang Sun, Qian Wang* and Puru Jena J. Phys.: Condens. Matter 22, 275303 (2010) pdf Geometry and Energetics of Nano Gears Ya-Lin Li, Yin-Li Liu, *Qian Wang, and Qiang Sun Journal of Computational and Theoretical Nanoscience, l7, 1–5 (2010) pdf Ferromagnetism in Semi-hydrogenated Graphene Sheet J. Zhou, Qian Wang, Q. Sun, X. S. Chen, Y. Kawazoe, and P. Jena Nano Letters* 9（2009）3867 pdf Potential of AlN Nanostructures as Hydrogen Storage Materials Qian Wang, Q. Sun, P. Jena, and Y. Kawazoe ACS NANO 3, 621 (2009) pdf Superhalogen properties of CuFn clusters *Qian Wang, Q.Sun and P. Jena J. Chem. Phys. 131, 124301 (2009) pdf Stabilizing a 22 karat nanogolden cage Qian Wang, Q. Sun, and P. Jena J. Chem. Phys. 131, 204501 (2009) pdf Magnetic properties of transition-metal-doped Zn1-xTxO ( T=Cr, Mn, Fe, Co, and Ni) thin films with and without intrinsic defects: A density functional study Qian Wang, Qiang Sun, P. Jena, and Y. Kawazoe Phys. Rev. B* 79, 115407 (2009) pdf Mg-doped GaN nanostructures: Energetics, magnetism, and H 2 adsorption *Qian Wang, Qiang Sun, Puru Jena, and Yoshiyuki Kawazoe Appl. Phys. Lett. 94, 013108 (2009) pdf N-doped ZnO thin films and nanowires: energetics, impurity distribution and magnetism Qian Wang, Qiang Sun, P. Jena New Journal of Physics 11, 063035 (2009) pdf Theoretical Study of Hydrogen Storage in Ca-Coated Fullerenes Qian Wang, Qiang Sun, Puru Jena, and Yoshiyuki Kawazoe J. Chem. Theory Comput. 5(2), 374 (2009) pdf Functionalized heterofullerenes for hydrogen storage Qiang Sun, *Qian Wang, and Puru Jena Appl. Phys. Lett. 94, 013111 (2009) pdf Doping induced anisotropic growth in C60 M.M. Wu, Q. Sun Q, Qian Wang, P. Jena, and Y. Kawazoe J. Chem. Phys. 130, 184714 (2009) pdf Vacancy-induced magnetism in ZnO thin films and nanowires Qian Wang, Qiang Sun, Gang Chen,Yoshiyuki Kawazoe, and Puru Jena Phys. Rev. B* 77, 205411 (2008) pdf Design of Janus nanoparticles with atomic precision: Tungsten-doped gold nanostructures Qiang Sun, *Qian Wang, Puru Jena, and Y. kawazoe ACS NANO* 2, 341 (2008) pdf Ligand induced ferromagnetism in ZnO nanostructures *Qian Wang, Qiang Sun, and Puru Jena J. Chem. Phys. 129, 164714 (2008) pdf Dependence of magnetism on doping concentration in V-doped bulk ZnO Qian Wang, Qiang Sun, and Y. Kawazoe Materials Transactions, Vol. 49, No. 11, 2469 (2008) pdf Structure of SiAu16: Can a silicon atom be stabilized in a gold cage? Qiang Sun, Qian Wang, Gang Chen, and Puru Jena J. Chem. Phys. 127, 214706 (2007) pdf First-principles study of magnetic properties in V-doped ZnO Qian Wang*, Qiang Sun, Puru Jena, Zheng Hu, R. Note, and Y. Kawazoe Appl. Phys. Lett. 91, 063116 (2007) pdf Hydrogen Storage in Organometallic Structures Grafted on Silsesquioxanes Qiang Sun, Qian Wang, Puru Jena, B. V. Reddy, and M. Marquez Chem. Mater.*, 19, 3074 ( 2007) pdf Theoretical Study on Gold-Coated Iron Oxide Nanostructure: Magnetism and Bioselectivity for Amino Acids Q. Sun, B.V. Reddy, M. Marquez, P. Jena, C. Gonzalez, and *Q. Wang* J. Phys. Chem. C 111, 4159 (2007) pdf Ferromagnetic to ferrimagnetic crossover in Cr-doped GaN nanohole arrays Qian Wang, Q. Sun, P. Jena, and Y. Kawazoe Phys. Rev. B* 75, 075312 (2007) pdf Ab Initio Study of Electronic and Magnetic Properties of the C-codoped Ga1-xMnxN(10-10) Surface Q. Wang , Q. Sun, and P. Jena Phys. Rev. B 75, 035322 (2007) pdf First Principles Study of Hydrogen Storageon Li12C60 Qiang Sun, Puru Jena, Qian Wang, and Manuel Marquez J. Am. Chem. Soc. 128, 9742 (2006) pdf Clustering of Cr in GaN Nanotubes and the Onset of Ferrimagnetic Order Q. Wang, Q. Sun, P. Jena, and Y. Kawazoe Phys. Rev. B* 73, 115411 (2006) pdf Ferromagnetism in Al1-xCrxN Thin Films by Density Functional Calculations Qian Wang, A. K. Kandalam, Q. Sun, and P. Jena Phys. Rev. B* 73, 115411 (2006) pdf Effect of Au Coating on the Magnetic and Structure Properties of Fe Nanocluaters for Use in Biomeical Application: A Density-functional Theory Study Q. Sun, A. K. Kandalam, Q. Wang, P. Jena, Y. Kawazoe, and M. Marquez Phys. Rev. B 73, 134409 (2006) pdf Ferromagnetism in Mn-doped GaN Nanowires Qian Wang, Q. Sun, and P. Jena Phys. Rev. Lett. 95, 167202 (2005) pdf Magnetic Coupling Between Cr Atoms Doped at Bulk and Surface Sites of ZnO Qian Wang, Q. Sun, P. Jena, and Y. Kawazoe Appl. Phys. Lett. 87, 162509 (2005) pdf Ferromagnetic GaN-Cr Nanowires Q. Wang, Q. Sun, P. Jena, and Y. Kawazoe Nano Letters 5, (2005) 1587 pdf Ab Initio Study of Ferromagnetism in Ga1-xCrxN Thin Film Qian Wang, Q . Sun, P. Jena, J. Z. Yu, R. Note, and Y. Kawazoe Phys. Rev. B* 72 (2005) 045435 pdf First Principles Study of Ferromagnetic Coupling in Zn1-xCrxTe Thin Film *Qian Wang, Q . Sun, P. Jena, and Y. Kawazoe J. Appl. Phys* 97 (2005) 043904 pdf Clustering of Ti on a C60 Fullerene and Its Effect on Hydrogen Adsorption Q. Sun , Qian Wang, P. Jena, and Y. Kawazoe J. Am. Chem. Soc. (Communication) 127, (2005)14582 pdf Storage of molecular hydrogen in B-N cage: Energetics and thermal stability. Q. Sun, Q. Wang , and P. Jena Nano Letters 5 (2005) 1273 pdf Interactions of Uranium Atom with Tetraketone Complexes Q. Sun , Qian Wang, Y. Shiokawa, and Y. Kawazoe Chem. Phys. Lett. 415, (2005) 24 pdf Anti-ferromagnetic Coupling Driven by Bond Length Contraction Near GaMnN Film Surface Qian Wang, Q. Sun, P. Jena, and Y. Kawazoe Phys. Rev. Lett. 93 (2004) 155501 pdf Electronic structure and bonding of Au on SiO2 cluster: A nano bullet for tumors Q. Sun, Qian Wang, B. K. Rao, and P. Jena Phys. Rev. Lett. 93 (2004) 186803 pdf Comment on 'Fully Coordinated Silica Nanoclusters: (SiO2)N Molecular Rings' Q. Sun, Qian Wang, and P. Jena Phys. Rev. Lett. 92 (2004) 039601 pdf First-principles study of magnetism in (11-20) Zn1-xMnxO thin film Qian Wang, and P. Jena Appl. Phys. Lett. 84 (2004) 4170 pdf Magnetism and Energetics of Mn-doped ZnO (10-10) Thin Film Qian Wang, Q. Sun, B.K. Rao, and P. Jena Phys. Rev. B* 69 (2004) 233310 pdf Carrier-mediated Ferromagnetism in N Co-doped (Zn, Mn)O (10-10) Thin Film Qian Wang, Q. Sun, P. Jena, and Y. Kawazoe Phys. Rev. B 70 (2004) 052408 pdf Metastability of a Gold Nano Ring Q. Sun, Qian Wang, P. Jena, and Y. Kawazoe Phys. Rev. B 70 (2004) 245411 pdf The Soft Breakdown of an Insulating Nanowire in Electric Field Q. Sun , Qian Wang, Y. Kawazoe, and P. Jena Nanotechnology 15 (2004) 260 pdf Interaction of magic gold cluster with Si 60 cage Q. Sun, Qian Wang, Y. Kawazoe, and P. Jena Eur. Phys. J. D 29 (2004) 231 pdf Stabilization of Si60 Cage Structure Q. Sun, Qian Wang, P. Jena, B. K. Rao, and Y. Kawazoe Phys. Rev. Lett. 90 (2003) 135503 pdf Nitrogen-induced magnetic transition in small chromium clusters Qian Wang, Q. Sun, B.K. Rao, P. Jena, and Y. Kawazoe J. Chem. Phys. 119 (2003) 7124 pdf First Principles studies of La doped B36N36 cage Qian Wang, Q. Sun, T. Oku, and Y. Kawazoe Physica B 339 (2003) 105 pdf First-principles Studies on Structure and Properties of Si36 Cluster Q. Sun, Q. Wang*, P. Jena, S. Waterman, and Y. Kawazoe Phys. Rev. A. 67 (2003) 063201 pdf Geometry and energetics of Si60 isomers Q. Sun, Q. Wang, P. Jena, J.Z. Yu, and Y. Kawazoe Science and Technology of Advanced Materials, 4, (2003) 361 pdf Design of a Nanostructure Peapod Using Magic Silicon Clusters Q. Sun, Q. Wang, Y. Kawazoe, and P. Jena Phys. Rev. B 66 (2002) 245425 pdf First-Principles Studies on Metal Stabilized Si20 Cage Q. Sun, Q. Wang, T.M. Briere, V.Kumar, Y. Kawazoe, and P. Jena Phys. Rev. B* 65 (2002) 235417 pdf Structures and stability of Al7C and Al7N clusters Q. Sun, *Q. Wang,* X.G. Gong, V. Kumar, and Y. Kawazoe Eur. Phys. J. D. 18 (2002) 77 pdf Dimer Interactions of Magic Si12W Clusters Q. Sun, Q. Wang, T.M. Briere, and Y. Kawazoe J. Phys.: Conden. Matt. 14 (2002) 450 pdf Real Space Presentation of Shell Structure of Jellium-like Cluster Q. Sun, Q. Wang, J.Z. Yu, V. Kumar, and Y. Kawazoe Phys. Rev. B 63 (2001) 1 93408 pdf Structure and Interaction Mechanism in the Magic Al13+H2O Cluster Q. Sun, Q. Wang, J. Z. Yu, T.M. Briere, and Y. Kawazoe Phys. Rev. A 64 (2001) 053203 pdf Structures and Properties of Pure and Doped C32 Cluster Q. Sun, Q. Wang, J.Z. Yu, K. Ohno, and Y. Kawazoe J. Phys.: Condens. Matter. 3 (2001) 1931 pdf Structure and Magnetic Properties of Magic Fe Oxide Clusters Q. Sun, M. Sakurai, Q. Wang, K. Sumiyama, and Y. Kawazoe IPAP, 3 (2001) 162 pdf Structure and Stability of Magic Ar6Fe+ Cluster Q. Wang, Q. Sun, T.M. Briere, and Y. Kawazoe Mater. Trans. JIM, 42 (2001) 2601 pdf Nonmetal-Metal Transition in Barium Cluster Q. Wang, Q. Sun, J.Z. Yu, and Y. Kawazoe Solid State Communication 117 (2001) 635 pdf Quantum size effect and temperature effect on spin-polarized transport in ZnSe/Zn1-xMnxSe multilayers Y. Guo Y, JQ. Lu, Z. Zeng , Q. Wang, BL. Gu, Y. Kawazoe Y Phys. Lett. A 284, (2001) 205 pdf Capacitance of Magic Barium Cluster Nanomaterials Q. Wang, Q. Sun, J.Z. Yu, and Y. Kawazo Scripta Mater 44 (8-9) (2001) 1959 pdf Magnetic Phase Transition and Hydrogen Solubility in Fe, Co and Ni J.Z. Yu, Q. Sun, Q. Wang, and Y. Kawazoe J. Phase Equilib. 22 (2001) 504 pdf Bonding character of hydrogen in aluminum clusters H. Kawamura, V. Kumar, Qian Wang, and Y. Kawazoe Mater. Trans. JIM 42, [11] 2175 (2001) The Intrinsic Stability of Magic Iron Oxide Cluster Q. Sun, Q. Wang, K. Parlinski, J.Z. Yu, Y. Hashi, G.X. Gong, and Y. Kawazoe Phys. Rev. B 61 (2000) 5781 pdf Geometry and electronic structures of magic transition-metal oxide clusters Q. Sun, M. Sakurai, Q. Wang, JZ. Yu, H. Wang, K. Sumiyama, and Y. Kawazoe Phys. Rev. B 62 (2000) 8500 pdf First-principles Studies on Pd Intercalated Graphite Q. Sun, D. S. Wang, Q. Wang, T. Oku, and Y. Kawazoe Mol. Crst. and Liq. Cryst. 340 (2000) 283 pdf Structures of magic Ba clusters and magic Ba suboxide clusters Q. Wang, Q. Sun, J.Z. Yu, B.L. Gu, Y. Kawazoe, and Y. Hashi Phys. Rev. A 62 (2000) 063203 pdf Frist-Priciples Studies on Magnetism of Ni Clusters Coated and Alloyed with Pd Q. Wang, Q. Sun, J.Z. Yu, Y. Hashi, and Y. Kawazoe Phys. Lett. A 267 ( 2000) 394 pdf Effect of magnetic transition on Hydrogen Solubility in Ni J.Z. Yu, Q. Sun, Q. Wang , and Y. Kawazoe Mater. Trans. JIM 41 [5] (2000) 621 pdf First-Principles Calculation on Dissociation of Hydrogen Molecule in Nickel J-Z. Yu, Q. Sun, Q. Wang, U. Onose, Y. Akiyama, and Y. Kawazoe Mater. Trans. JIM 41 [9] (2000) 1114. pdf
Books
Porous Silicon Carbide and Gallium Nitride Randall M. Feenstra, Colin E. C. Wood Qian Wang and Pure Jena (Chapter 10) WILEY, 2008. Ultrafine Particles and Their Aggregates Z. J. Deng, Q. Sun, *Q. Wang, J. Li, Y-P. Liang, and Z-Y. Liu South-West Normal University Press (1998) Research on Physics Education* Vice Chief Editor Sichuan Science and Technology Press (Chendu, 1995) Ultrafine Particles and Fractals Z. J. Deng, Q. Sun, and Q. Wang South-West Normal University Press (1993).

Qian Wang's homepage

Selected Publications

Penta-graphene: A new carbon allotrope
Shunhong Zhang, Jian Zhou, Qian Wang*, X-H. Chen, Y. Kawazoe, and Puru Jena
PNAS (Proc. Natl. Acad. Sci.) 112, 2372 (2015) pdf
Stable three-dimensional metallic carbon with interlocking hexagons
S. Zhang, Qian Wang*, X. Chen, and Puru Jena
PNAS (Proc. Natl. Acad. Sci). (IP=9.737)110 (2013) 18809 pdf (News Report)
Electric field enhanced hydrogen storage on polarizable materials substrates
J. Zhou, Qian Wang, Qiang Sun, P. Jena, and X.S. Chen
PNAS 107, 2801(2010) pdf (News Report)
Ferromagnetism in Mn-doped GaN Nanowires
Q. Wang, Q. Sun, and P. Jena
Phys. Rev. Lett. 95, (2005) 167202 pdf
Anti-ferromagnetic Coupling Driven by Bond Length Contraction Near GaMnN Film Surface
Q. Wang*, Q. Sun, P. Jena, and Y. Kawazoe
Phys. Rev. Lett. 93 (2004) 155501 pdf
Electronic structure and bonding of Au on SiO2 cluster: A nano bullet for tumors
Q. Sun, Q. Wang, B. K. Rao, and P. Jena
Phys. Rev. Lett. 93 (2004) 186803 pdf
Comment on 'Fully Coordinated Silica Nanoclusters: (SiO2)N Molecular Rings'
Q. Sun, Q. Wang, and P. Jena
Phys. Rev. Lett. 92 (2004) 039601 pdf
Stabilization of Si60 Cage Structure
Q. Sun, Q. Wang, P. Jena, B. K. Rao, and Y. Kawazoe
Phys. Rev. Lett. 90 (2003) 135503 pdf
Ferromagnetism in Semi-hydrogenated Graphene Sheet
J. Zhou, Qian Wang, Q. Sun, X. S. Chen, Y. Kawazoe, and P. Jena
Nano Letters 9（2009）3867 pdf (News Report)
Ferromagnetic GaN-Cr Nanowires
Q. Wang*, Q. Sun, P. Jena, and Y. Kawazoe
Nano Letters 5, (2005) 1587 pdf
Storage of molecular hydrogen in B-N cage: Energetics and thermal stability.
Q. Sun, Q. Wang , and P. Jena
Nano Letters 5 (2005) 1273 pdf
Three-dimensional Metallic Boron Nitride
S. Zhang, Qian Wang*, Y. Kawazoe, and Puru Jena
J. Am. Chem. Soc. (IP=10.677) 135, (2013) 18216 pdf
First Principles Study of Hydrogen Storageon Li12C60
Qiang Sun, Puru Jena, Qian Wang, and Manuel Marquez
J. Am. Chem. Soc. 128, (2006) 9742 pdf
Clustering of Ti on a C60 Fullerene and Its Effect on Hydrogen Adsorption
Q. Sun , Q. Wang, P. Jena, and Y. Kawazoe
J. Am. Chem. Soc. (Communication) 127, (2005)14582 pdf
Potential of AlN Nanostructures as Hydrogen Storage Materials
Qian Wang, Q. Sun, P. Jena, and Y. Kawazoe
ACS NANO 3, 621 (2009) pdf
Design of Janus nanoparticles with atomic precision: Tungsten-doped gold nanostructures
Qiang Sun, Qian Wang, Puru Jena, and Y. kawazoe
ACS NANO 2, 341 (2008) pdf
1. Patterning Graphitic C-N Sheets into Kagome Lattice for Magnetic Materials.
Xiaowei Li, Jian Zhou, Qian Wang*, Yushiyuki Kawazoe, and Puru Jena
J. Phys. Chem. Lett. 4, 259-263 (2013) pdf
Density Functional Theory Study of the Interaction of Hydrogen with Li6C60
Qian Wang, and Puru Jena
J. Phys. Chem. Lett. 3, 1084 （2012）pdf
Strain-Induced Spin Crossover in Phthalocyanine-Based Organometallic Sheets.
Jian Zhou, Qian Wang, Qiang Sun, Yoshiyuki Kawazoe, and Puru Jena,
J. Phys. Chem. Lett. 3, 3109 (2012). pdf
Manganese-Based Magnetic Superhalogens
Miao Miao Wu, Haopeng Wang, Yeon Jae Ko, Qian Wang, Qiang Sun, Boggavarapu Kiran,
Anil K. Kandalam, Kit H. Bowen, and Puru Jena
Angew. Chem. Int. Ed. 50, 2568 (2011) pdf

Recent 100 Publications

Penta-graphene: A new carbon allotrope
Shunhong Zhang, Jian Zhou, Qian Wang*, X-H. Chen, Y. Kawazoe, and Puru Jena
Proc. Natl. Acad. Sci. 112, 2372 (2015) pdf
Experimental observation of TiN12+ cluster and theoretical investigation of its stable and metastable isomers
Ke-Wei Ding, Xiao-Wei Li, H-G. Xu, T-Q. Li, Z-X Ge, Qian Wang*, and Wei-Jun Zheng*
Chem. Sci. 6, 4723-4729, 2015 pdf
A New Silicon Phase with Direct Band Gap and Novel Optoelectronic Properties
Yaguang Guo, Qian Wang*, Yoshiyuki. Kawazoe, and Puru Jena
Scientific Reports DOI:10.1038/srep14342 pdf
Thermoelectric Properties of Single-layer SnSe Sheet
Fancy Qian Wang, Shunhong Zhang, Jiabing Yu, and Qian Wang*
Nanoscale Accepted
Self-assembly of metal atoms (Na, K, Ca) on graphene
Jian Zhou, Shunhong Zhang, Qian Wang, Yoshiyuki Kawazoe, and Puru Jena
Nanoscale 7, 2352-2359, 2015 pdf
High-temperature superconductivity in heavily N- or B-doped graphene
Jian Zhou, Qiang Sun, Qian Wang, and Puru Jena
Phys. Rev. B 92, 064505 (2015) pdf
Giant magnetocrystalline anisotropy of 5d transition metal-based phthalocyanine sheet
Jian Zhou, Qian Wang, Qiang Sun, Yoshiyuki Kawazoe, and Puru Jena
Phys. Chem. Chem. Phys. 17, 17182 (2015) pdf
Robust ferromagnetism in monolayer chromium nitride
Shunhong Zhang, Yawei Li, Tianshan Zhao, and Qian Wang*
Scientific Reports 4, 5241 (2014) pdf
Electronic and Optical Properties of Silicon based Porous sheets
Yaguang Guo, Shunhong Zhang, and Qian Wang*
Phys. Chem. Chem. Phys. 16, 16832 (2014) pdf
Tuning Electronic and Magnetic Properties of Silicene with Magnetic Superhalogens
Tianshan Zhao, Shunhong Zhang, Qian Wang*, Yoshiyuki Kawazoe, and Puru Jena
Phys. Chem. Chem. Phys. 16, 22915-23494 (2014) (Cover Paper)
Structural, electronic and magnetic properties of neutral and anionic Fe2(BO2)n (n=1~3) clusters
H-M Zhao, Xa Lin, YW. Li, Qian Wang*, and P .Jena
Physics Letters A 378, 2959-2964 (2014) pdf
Pressure-induced magnetic crossover driven by hydrogen bonding in CuF2(H2O)2(3-chloropyridine)
Kenneth R. O’Neal, Tatiana V. Brinzari, Joshua B. Wright, Chunli Ma, Santanab Giri,
John A. Schlueter, Qian Wang, Puru Jena, Zhenxian Liu, and Janice L. Musfeldt1
Scientific Reports 4, 6054 (2014) pdf
Self-consistent determination of Hubbard U for explaining the anomalous magnetism of the Gd13 cluster
Kun Tao, J. Zhou, Q. Sun, Qian Wang, V. S. Stepanyuk, and Puru Jena
Phys. Rev. B 89, 085103 (2014) pdf
Tailoring Li adsorption on graphene
J. Zhou, Q. Sun, Qian Wang, and Puru Jena
Phys. Rev. B 90, 205427 (2014) pdf
Patterning Graphitic C-N Sheets into Kagome Lattice for Magnetic Materials.
Xiaowei Li, Jian Zhou, Qian Wang*, Yushiyuki Kawazoe, and Puru Jena
J. Phys. Chem. Lett. 4, 259-263 (2013) pdf
Stable three-dimensional metallic carbon with interlocking hexagons
S. Zhang, Qian Wang*, X. Chen, and Puru Jena
PNAS (Proc. Natl. Acad. Sci) 110, 18809 (2013) pdf
Three-dimensional Metallic Boron Nitride
S. Zhang, Qian Wang*, Y. Kawazoe, and Puru Jena
J. Am. Chem. Soc.135, 18216 (2013) pdf
Stability and physical properties of tri-ring based porous g-C4N3 sheet
Xiaowei Li, Shunhong Zhang, and Qian Wang*
Phys. Chem. Chem. Phys. 15, 7142 (2013) pdb
All-Metal Clusters that Mimic the Chemistry of Halogens
Tianshan Zhao, Yawei Li, Qian Wang*, and Puru Jena
ChemPhysChem 14, 3227-3232 (2013) pdb
Structure, Stability and Property Modulations of Stoichiometric Graphene Oxide
S.H. Zhang, J. Zhou, Qian Wang*, and P. Jena
J. Phys. Chem. C 117, 1064 (2013) pdf
Structure and properties of Mn4Cl9:Anantiferromagnetic binary hyperhalogen
Y. W. Li, S. H. Zhang, Qian Wang*, and P. Jena
J. Chem. Phys. 138, 054309 (2013) pdf
超卤素的结构、特性及应用研究进展
李亚伟, 王前*
中国科学: 化学, 2013年, 第43卷, 第2期: 142 – 162 pdb
Functionalized Graphitic Carbon Nitride for Efficient Energy Storage
Menghao Wu, Qian Wang, Qiang Sun, and Puru Jena
J. Phys. Chem. C 117, 6055 (2013) pdb
Communication: In Search of Four-Atom Chiral Metal Clusters
Xinxing Zhang, Bradley Visser, Martin Tschurl,2 Evan Collins, Yi Wang, Qian Wang, Qiang Sun, Puru Jena, Gerd Gantefoer, Ulrich Boesl, Ulrich Heiz, and Kit Bowen
J. Chem. Phys 139, 111101 (2013) pdb
Density Functional Theory Study of the Interaction of Hydrogen with Li6C60
Qian Wang, and Puru Jena
J. Phys. Chem. Lett. 3, 1084（2012）pdf
Strain-Induced Spin Crossover in Phthalocyanine-Based Organometallic Sheets.
Jian Zhou, Qian Wang, Qiang Sun, Yoshiyuki Kawazoe, and Puru Jena,
J. Phys. Chem. Lett. 3, 3109 (2012) pdf
Adsorption of oxygen-containing functional groups on free and supported graphene using point contact
Qian Wang * , D. X. Ye, Y. Kawazoe, and P. Jena
Phys. Rev. B 85, 085404 (2012) pdf
Tuning magnetic properties of graphene nanoribbons with topological line defects:
From antiferromagnetic to ferromagnetic.
Min Kan, Jian Zhou, Qiang Sun, Qian Wang, Yoshiyuki Kawazoe, and Puru Jena
Phys. Rev. B 85, 155450 (2012) pdf
Tunable ferromagnetism in assembled two dimensional triangular graphene nanoflakes
Xiaowei Li, and Qian Wang*
Phys. Chem. Chem. Phys. 14, 2065 (2012) pdf
Magnetism of two-dimensional triangular nanoflake-based kagome lattices
Xiaowei Li, Jian Zhou, Qian Wang*, Xiaoshuang Chen, Y Kawazoe and P Jena
New J. Phys. 14, 033043 (2012) pdf
Magnetic properties of two dimensional silicon carbide triangular nanoflakes-based kagome lattices.
Xiaowei Li, Jian Zhou, Qian Wang*, and Puru Jena
J. Nanopart. Res. 14, 1056 (2012) pdf
Magnetism of triangular nanoflakes with different compositions and edge terminations.
Shunhong Zhang, Jian Zhou, Xiaowei Li, Qian Wang*
J. Nanopart. Res. 14, 1171 (2012) pdf
Manganese-Based Magnetic Superhalogens
Miao Miao Wu, Haopeng Wang, Yeon Jae Ko, Qian Wang, Qiang Sun, Boggavarapu Kiran,
Anil K. Kandalam, Kit H. Bowen, and Puru Jena
Angew. Chem. Int. Ed. 50, 2568 (2011) pdf
Ferromagnetism in Two-Dimensional Carbon Chains Linked by 1,3,5-Benzenetriyl Units
Xiaowei Li, Qian Wang*, and Puru Jena,
J. Phys. Chem. C 115, 19621, (2011) pdf
Enhanced Hydrogen Storage on Li Functionalized BC3 Nanotube
Jian Zhou, Qian Wang, Qiang Sun, and Puru Jena
J. Phys. Chem. C 115, 6136 (2011) pdf
Intrinsic ferromagnetism in two-dimensional carbon structures:
Triangular graphene nanoflakes linked by carbon chains
Jian Zhou, Qian Wang, Qiang Sun, and Puru Jena
Phys. Rev. B (Rap Comm) 84, 081402 (2011) pdf
Tuning the band gap and magnetic properties of BN sheets impregnated with graphene flakes.
M. Kan, J. Zhou, Qian Wang, Q. Sun, and Puru Jena
Phys. Rev. B 84, 205412 (2011) pdf
Effects of charging and doping on orbital hybridizations and distributionsin TiO2 clusters
HongMin Zhao MiaoMiaoWu, QianWang*, and Puru Jena
Physica B 406, 4322–4326 (2011) pdf
Stability and electronic structure of bilayer graphone
J. Zhou, Qian Wang, Q. Sun, and P. Jena
Appl. Phys. Lett. 98, 063108 (2011) pdf
Sc-phthalocyanine sheet: Promising material for hydrogen storage
Kun Lü, Jian Zhou, Le Zhou, Qian Wang, Qiang Sun, and Puru Jena
Appl. Phys. Lett. 99, 163104 (2011) pdf
Reaction-Induced Magnetic Transition in Mn2 Dimers
Miao Miao Wu, Qian Wang, Qiang Sun, and Puru Jena
J. Phys Chem. A 115, 549 (2011) pdf
Electronic structures and bonding of graphyne sheet and its BN analog
Jian Zhou, Kun Lv, Qian Wang, X. S. Chen, Qiang Sun, and Puru Jena
J. Chem. Phys. 134, 174701 (2011) pdf
Tuning magnetic properties of Mn4 cluster with gold coating
Qian Wang*, Qiang Sun, Puru Jena and Yushiyuki Kawazoe
Phys. Chem. Chem. Phys. 12, 1493 (2010) pdf
Electric field enhanced hydrogen storage on polarizable materials substrates
J. Zhou, Qian Wang, Qiang Sun, P. Jena, and X.S. Chen
PNAS 107, 2801(2010) pdf
Probing the existence of energetically degenerate cluster isomers by chemical tagging
Qian Wang*, Qiang Sun, and Puru Jena
Appl. Phys. Lett. 97, 223104 (2010) pdf
First-principles study of hydrogen adsorption in metal-doped COF-10
Miao Miao Wu, Qian Wang*, Qiang Sun, Puru Jena, and Yushiyuki Kawazoe
J. Chem. Phys. 133, 154706 (2010) pdf
Magnetism in ZnO nanowire with Fe/Co co-doping: First principles density functional calculations
S. Ghosh, Qian Wang, G. P.Das, and P. Jena
Phys. Rev. B 81, 235215 (2010) pdf
Electronic and magnetic properties of a BN sheet decorated with hydrogen and fluorine
J. Zhou, Qian Wang, Qiang Sun, and P. Jena
Phys. Rev. B 81, 085442 (2010) pdf
First-principles study of the effect of vacancies on magnetic properties of Zn1-xCoxO thin films
Qian Wang*, Qiang Sun, and Puru Jena
J. Phys.: Condens. Matter 22, 076002 (2010) pdf
Structures of neutral and anionic Au16 clusters revisited
Gang Chen, Qian Wang, Qiang Sun, Yoshiyuki Kawazoe, and Puru Jena
J. Chem. Phys. 132, 194306 (2010) pdf
Geometry, Electronic Properties, and Hydrogen Adsorption Properties of Li3N-Based Nanostructures
Z. P. Jiang, X. Zhou, Qiang Sun, Qian Wang, and Puru Jena
J. Phys. Chem. C 114, 19202 (2010) pdf
Interaction of C59Si with Si based clusters: a study of Janus nanostructures
Miao Miao Wu, Xiao Zhou, Jian Zhou, Qiang Sun, Qian Wang and Puru Jena
J. Phys.: Condens. Matter 22, 275303 (2010) pdf
Geometry and Energetics of Nano Gears
Ya-Lin Li, Yin-Li Liu, Qian Wang, and Qiang Sun
Journal of Computational and Theoretical Nanoscience, l7, 1–5 (2010) pdf
Ferromagnetism in Semi-hydrogenated Graphene Sheet
J. Zhou, Qian Wang, Q. Sun, X. S. Chen, Y. Kawazoe, and P. Jena
Nano Letters 9（2009）3867 pdf
Potential of AlN Nanostructures as Hydrogen Storage Materials
Qian Wang, Q. Sun, P. Jena, and Y. Kawazoe
ACS NANO 3, 621 (2009) pdf
Superhalogen properties of CuFn clusters
Qian Wang, Q.Sun and P. Jena
J. Chem. Phys. 131, 124301 (2009) pdf
Stabilizing a 22 karat nanogolden cage
Qian Wang*, Q. Sun, and P. Jena
J. Chem. Phys. 131, 204501 (2009) pdf
Magnetic properties of transition-metal-doped Zn1-xTxO ( T=Cr, Mn, Fe, Co, and Ni) thin films with and without intrinsic defects: A density functional study
Qian Wang*, Qiang Sun, P. Jena, and Y. Kawazoe
Phys. Rev. B 79, 115407 (2009) pdf
Mg-doped GaN nanostructures: Energetics, magnetism, and H 2 adsorption
Qian Wang, Qiang Sun, Puru Jena, and Yoshiyuki Kawazoe
Appl. Phys. Lett. 94, 013108 (2009) pdf
N-doped ZnO thin films and nanowires: energetics, impurity distribution and magnetism
Qian Wang*, Qiang Sun, P. Jena
New Journal of Physics 11, 063035 (2009) pdf
Theoretical Study of Hydrogen Storage in Ca-Coated Fullerenes
Qian Wang, Qiang Sun, Puru Jena, and Yoshiyuki Kawazoe
J. Chem. Theory Comput. 5(2), 374 (2009) pdf
Functionalized heterofullerenes for hydrogen storage
Qiang Sun, Qian Wang, and Puru Jena
Appl. Phys. Lett. 94, 013111 (2009) pdf
Doping induced anisotropic growth in C60
M.M. Wu, Q. Sun Q, Qian Wang, P. Jena, and Y. Kawazoe
J. Chem. Phys. 130, 184714 (2009) pdf
Vacancy-induced magnetism in ZnO thin films and nanowires
Qian Wang, Qiang Sun, Gang Chen,Yoshiyuki Kawazoe, and Puru Jena
Phys. Rev. B 77, 205411 (2008) pdf
Design of Janus nanoparticles with atomic precision: Tungsten-doped gold nanostructures
Qiang Sun, Qian Wang, Puru Jena, and Y. kawazoe
ACS NANO 2, 341 (2008) pdf
Ligand induced ferromagnetism in ZnO nanostructures
Qian Wang, Qiang Sun, and Puru Jena
J. Chem. Phys. 129, 164714 (2008) pdf
Dependence of magnetism on doping concentration in V-doped bulk ZnO
Qian Wang, Qiang Sun, and Y. Kawazoe
Materials Transactions, Vol. 49, No. 11, 2469 (2008) pdf
Structure of SiAu16: Can a silicon atom be stabilized in a gold cage?
Qiang Sun, Qian Wang, Gang Chen, and Puru Jena
J. Chem. Phys. 127, 214706 (2007) pdf
First-principles study of magnetic properties in V-doped ZnO
Qian Wang*, Qiang Sun, Puru Jena, Zheng Hu, R. Note, and Y. Kawazoe
Appl. Phys. Lett. 91, 063116 (2007) pdf
Hydrogen Storage in Organometallic Structures Grafted on Silsesquioxanes
Qiang Sun, Qian Wang, Puru Jena, B. V. Reddy, and M. Marquez
Chem. Mater., 19, 3074 ( 2007) pdf
Theoretical Study on Gold-Coated Iron Oxide Nanostructure: Magnetism and Bioselectivity
for Amino Acids
Q. Sun, B.V. Reddy, M. Marquez, P. Jena, C. Gonzalez, and Q. Wang
J. Phys. Chem. C 111, 4159 (2007) pdf
Ferromagnetic to ferrimagnetic crossover in Cr-doped GaN nanohole arrays
Qian Wang*, Q. Sun, P. Jena, and Y. Kawazoe
Phys. Rev. B 75, 075312 (2007) pdf
Ab Initio Study of Electronic and Magnetic Properties of the C-codoped Ga1-xMnxN(10-10) Surface
Q. Wang , Q. Sun, and P. Jena
Phys. Rev. B 75, 035322 (2007) pdf
First Principles Study of Hydrogen Storageon Li12C60
Qiang Sun, Puru Jena, Qian Wang, and Manuel Marquez
J. Am. Chem. Soc. 128, 9742 (2006) pdf
Clustering of Cr in GaN Nanotubes and the Onset of Ferrimagnetic Order
Q. Wang*, Q. Sun, P. Jena, and Y. Kawazoe
Phys. Rev. B 73, 115411 (2006) pdf
Ferromagnetism in Al1-xCrxN Thin Films by Density Functional Calculations
Qian Wang*, A. K. Kandalam, Q. Sun, and P. Jena
Phys. Rev. B 73, 115411 (2006) pdf
Effect of Au Coating on the Magnetic and Structure Properties of Fe Nanocluaters for Use in Biomeical Application: A Density-functional Theory Study
Q. Sun, A. K. Kandalam, Q. Wang, P. Jena, Y. Kawazoe, and M. Marquez
Phys. Rev. B 73, 134409 (2006) pdf
Ferromagnetism in Mn-doped GaN Nanowires
Qian Wang*, Q. Sun, and P. Jena
Phys. Rev. Lett. 95, 167202 (2005) pdf
Magnetic Coupling Between Cr Atoms Doped at Bulk and Surface Sites of ZnO
Qian Wang, Q. Sun, P. Jena, and Y. Kawazoe
Appl. Phys. Lett. 87, 162509 (2005) pdf
Ferromagnetic GaN-Cr Nanowires
Q. Wang*, Q. Sun, P. Jena, and Y. Kawazoe
Nano Letters 5, (2005) 1587 pdf
Ab Initio Study of Ferromagnetism in Ga1-xCrxN Thin Film
Qian Wang*, Q . Sun, P. Jena, J. Z. Yu, R. Note, and Y. Kawazoe
Phys. Rev. B 72 (2005) 045435 pdf
First Principles Study of Ferromagnetic Coupling in Zn1-xCrxTe Thin Film
Qian Wang, Q . Sun, P. Jena, and Y. Kawazoe
J. Appl. Phys 97 (2005) 043904 pdf
Clustering of Ti on a C60 Fullerene and Its Effect on Hydrogen Adsorption
Q. Sun , Qian Wang, P. Jena, and Y. Kawazoe
J. Am. Chem. Soc. (Communication) 127, (2005)14582 pdf
Storage of molecular hydrogen in B-N cage: Energetics and thermal stability.
Q. Sun, Q. Wang , and P. Jena
Nano Letters 5 (2005) 1273 pdf
Interactions of Uranium Atom with Tetraketone Complexes
Q. Sun , Qian Wang, Y. Shiokawa, and Y. Kawazoe
Chem. Phys. Lett. 415, (2005) 24 pdf
Anti-ferromagnetic Coupling Driven by Bond Length Contraction Near GaMnN Film Surface
Qian Wang, Q. Sun, P. Jena, and Y. Kawazoe
Phys. Rev. Lett. 93 (2004) 155501 pdf
Electronic structure and bonding of Au on SiO2 cluster: A nano bullet for tumors
Q. Sun, Qian Wang, B. K. Rao, and P. Jena
Phys. Rev. Lett. 93 (2004) 186803 pdf
Comment on 'Fully Coordinated Silica Nanoclusters: (SiO2)N Molecular Rings'
Q. Sun, Qian Wang, and P. Jena
Phys. Rev. Lett. 92 (2004) 039601 pdf
First-principles study of magnetism in (11-20) Zn1-xMnxO thin film
Qian Wang, and P. Jena
Appl. Phys. Lett. 84 (2004) 4170 pdf
Magnetism and Energetics of Mn-doped ZnO (10-10) Thin Film
Qian Wang*, Q. Sun, B.K. Rao, and P. Jena
Phys. Rev. B 69 (2004) 233310 pdf
Carrier-mediated Ferromagnetism in N Co-doped (Zn, Mn)O (10-10) Thin Film
Qian Wang, Q. Sun, P. Jena, and Y. Kawazoe
Phys. Rev. B 70 (2004) 052408 pdf
Metastability of a Gold Nano Ring
Q. Sun, Qian Wang, P. Jena, and Y. Kawazoe
Phys. Rev. B 70 (2004) 245411 pdf
The Soft Breakdown of an Insulating Nanowire in Electric Field
Q. Sun , Qian Wang, Y. Kawazoe, and P. Jena
Nanotechnology 15 (2004) 260 pdf
Interaction of magic gold cluster with Si 60 cage
Q. Sun, Qian Wang, Y. Kawazoe, and P. Jena
Eur. Phys. J. D 29 (2004) 231 pdf
Stabilization of Si60 Cage Structure
Q. Sun, Qian Wang, P. Jena, B. K. Rao, and Y. Kawazoe
Phys. Rev. Lett. 90 (2003) 135503 pdf
Nitrogen-induced magnetic transition in small chromium clusters
Qian Wang*, Q. Sun, B.K. Rao, P. Jena, and Y. Kawazoe
J. Chem. Phys. 119 (2003) 7124 pdf
First Principles studies of La doped B36N36 cage
Qian Wang*, Q. Sun, T. Oku, and Y. Kawazoe
Physica B 339 (2003) 105 pdf
First-principles Studies on Structure and Properties of Si36 Cluster
Q. Sun, Q. Wang, P. Jena, S. Waterman, and Y. Kawazoe
Phys. Rev. A. 67 (2003) 063201 pdf
Geometry and energetics of Si60 isomers
Q. Sun, Q. Wang, P. Jena, J.Z. Yu, and Y. Kawazoe
Science and Technology of Advanced Materials, 4, (2003) 361 pdf
Design of a Nanostructure Peapod Using Magic Silicon Clusters
Q. Sun, Q. Wang, Y. Kawazoe, and P. Jena
Phys. Rev. B 66 (2002) 245425 pdf
First-Principles Studies on Metal Stabilized Si20 Cage
Q. Sun, Q. Wang, T.M. Briere, V.Kumar, Y. Kawazoe, and P. Jena
Phys. Rev. B 65 (2002) 235417 pdf
Structures and stability of Al7C and Al7N clusters
Q. Sun, Q. Wang, X.G. Gong, V. Kumar, and Y. Kawazoe
Eur. Phys. J. D. 18 (2002) 77 pdf
Dimer Interactions of Magic Si12W Clusters
Q. Sun, Q. Wang, T.M. Briere, and Y. Kawazoe
J. Phys.: Conden. Matt. 14 (2002) 450 pdf
Real Space Presentation of Shell Structure of Jellium-like Cluster
Q. Sun, Q. Wang, J.Z. Yu, V. Kumar, and Y. Kawazoe
Phys. Rev. B 63 (2001) 1 93408 pdf
Structure and Interaction Mechanism in the Magic Al13+H2O Cluster
Q. Sun, Q. Wang, J. Z. Yu, T.M. Briere, and Y. Kawazoe
Phys. Rev. A 64 (2001) 053203 pdf
Structures and Properties of Pure and Doped C32 Cluster
Q. Sun, Q. Wang, J.Z. Yu, K. Ohno, and Y. Kawazoe
J. Phys.: Condens. Matter. 3 (2001) 1931 pdf
Structure and Magnetic Properties of Magic Fe Oxide Clusters
Q. Sun, M. Sakurai, Q. Wang, K. Sumiyama, and Y. Kawazoe
IPAP, 3 (2001) 162 pdf
Structure and Stability of Magic Ar6Fe+ Cluster
Q. Wang, Q. Sun, T.M. Briere, and Y. Kawazoe
Mater. Trans. JIM, 42 (2001) 2601 pdf
Nonmetal-Metal Transition in Barium Cluster
Q. Wang, Q. Sun, J.Z. Yu, and Y. Kawazoe
Solid State Communication 117 (2001) 635 pdf
Quantum size effect and temperature effect on spin-polarized transport in ZnSe/Zn1-xMnxSe multilayers
Y. Guo Y, JQ. Lu, Z. Zeng , Q. Wang, BL. Gu, Y. Kawazoe Y
Phys. Lett. A 284, (2001) 205 pdf
Capacitance of Magic Barium Cluster Nanomaterials
Q. Wang, Q. Sun, J.Z. Yu, and Y. Kawazo
Scripta Mater 44 (8-9) (2001) 1959 pdf
Magnetic Phase Transition and Hydrogen Solubility in Fe, Co and Ni
J.Z. Yu, Q. Sun, Q. Wang, and Y. Kawazoe
J. Phase Equilib. 22 (2001) 504 pdf
Bonding character of hydrogen in aluminum clusters
H. Kawamura, V. Kumar, Qian Wang, and Y. Kawazoe
Mater. Trans. JIM 42, [11] 2175 (2001)
The Intrinsic Stability of Magic Iron Oxide Cluster
Q. Sun, Q. Wang, K. Parlinski, J.Z. Yu, Y. Hashi, G.X. Gong, and Y. Kawazoe
Phys. Rev. B 61 (2000) 5781 pdf
Geometry and electronic structures of magic transition-metal oxide clusters
Q. Sun, M. Sakurai, Q. Wang, JZ. Yu, H. Wang, K. Sumiyama, and Y. Kawazoe
Phys. Rev. B 62 (2000) 8500 pdf
First-principles Studies on Pd Intercalated Graphite
Q. Sun, D. S. Wang, Q. Wang, T. Oku, and Y. Kawazoe
Mol. Crst. and Liq. Cryst. 340 (2000) 283 pdf
Structures of magic Ba clusters and magic Ba suboxide clusters
Q. Wang, Q. Sun, J.Z. Yu, B.L. Gu, Y. Kawazoe, and Y. Hashi
Phys. Rev. A 62 (2000) 063203 pdf
Frist-Priciples Studies on Magnetism of Ni Clusters Coated and Alloyed with Pd
Q. Wang, Q. Sun, J.Z. Yu, Y. Hashi, and Y. Kawazoe
Phys. Lett. A 267 ( 2000) 394 pdf
Effect of magnetic transition on Hydrogen Solubility in Ni
J.Z. Yu, Q. Sun, Q. Wang , and Y. Kawazoe
Mater. Trans. JIM 41 [5] (2000) 621 pdf
First-Principles Calculation on Dissociation of Hydrogen Molecule in Nickel
J-Z. Yu, Q. Sun, Q. Wang, U. Onose, Y. Akiyama, and Y. Kawazoe
Mater. Trans. JIM 41 [9] (2000) 1114. pdf

Books

Porous Silicon Carbide and Gallium Nitride
Randall M. Feenstra, Colin E. C. Wood
Qian Wang and Pure Jena (Chapter 10)
WILEY, 2008.
Ultrafine Particles and Their Aggregates
Z. J. Deng, Q. Sun, Q. Wang, J. Li, Y-P. Liang, and Z-Y. Liu
South-West Normal University Press (1998)
Research on Physics Education
Vice Chief Editor
Sichuan Science and Technology Press (Chendu, 1995)
Ultrafine Particles and Fractals
Z. J. Deng, Q. Sun, and Q. Wang
South-West Normal University Press (1993).

Qian Wang's homepage