王前

北京大學應用物理與技術研究中心特聘研究員、教授、博士生導師。

研究領域

主要從事碳基磁性材料、稀磁半導體材料、高能密度材料和納米結構及其組裝材料的計算模擬研究工作。

稀磁半導體材料的電子結構和磁耦合特性、碳基磁性材料的設計與計算模擬、高能密度材料（HEDM）的模擬與計算、高壓下物質的特性、原子團簇的物理化學特性研究及其組裝。

課題

1.主持：“2p電子磁性材料的設計與模擬研究”[自然科學基金面上項目(11174014)，2012.01-2015.12]

2.主持:“超鹵素對二維單原子層材料功能化修飾的計算模擬”[自然科學基金面上項目(21273012)，2013.01-2014.12]

3.主持：“高能密度材料的模擬與計算”（中國科學院開放項目，2011.06-2015.05）

4.參加：“異質界面誘導的新奇量子現象及調控”[國家基金委973項目(2012CB921404)]

論文

•Patterning Graphitic C?N Sheets into a Kagome Lattice for Magnetic Materials. X.W. Li, J. Zhou, Qian Wang*, Y. Kawazoe, and P. Jena J. Phys. Chem. Lett.(IP=6.213)4, 259 (2013)

•Structure, Stability and Property Modulations of Stoichiometric Graphene Oxide. S.H. Zhang, J. Zhou,QianWang*, and P. Jena J. Phys. Chem. C (IP=4.805) (2013)

•Structure and properties of Mn4Cl9:Anantiferromagnetic binary hyperhalogen Y. W. Li, S. H. Zhang,Qian Wang*, and P. Jena J. Chem. Phys(IP=3.333) 138, 054309 (2013)

•Stability and physical properties of tri-ring based porous g-C4N3 sheet X.W. Li, S.H. Zhang, and Qian Wang* Phys. Chem. Chem. Phys.(IP=3.573) 15, 7142 (2013)

•超鹵素的結構、特性及應用研究進展 李亞偉, 王前* 中國科學: 化學 2013年第43卷第2期: 142 ~ 162

•Magnetism of triangular nanoflakes with different compositions and edge terminations Shunhong Zhang, Jian Zhou, Xiaowei Li, and Qian Wang* J. Nanopart. Res (IP=3.287)14, 1171 (2012)

•Magnetism of two-dimensional triangular nanoflake-based kagome lattices. Xiaowei Li, Jian Zhou, Qian Wang*, Xiaoshuang Chen, Yushiyuki Kawazoe, and Puru Jena New. J. Phys(IP=4.177) 14, 033043 (2012)

•Tunable ferromagnetism in assembled two dimensional triangular graphenenanoflakes. Xiaowei Li and Qian Wang* Phys. Chem. Chem. Phys(IP=3.573)14, 2065 (2012)

•Magnetic properties of two dimensional silicon carbide triangular nano?akes-based kagome lattices. Xiaowei Li, Jian Zhou, Qian Wang*, and Puru Jena J. Nanopart. Res (IP=3.287)14, 1056 (2012)

•Adsorption of oxygen-containing functional groups on free and supported graphene using point contact Qian Wang*, D. X. Ye, Yushiyuki Kawazoe, and Puru Jena Phys. Rev. B (IP=3.691)85, 085404 (2012)

•Density Functional Theory Study of the Interaction of Hydrogen with Li6C60 Qian Wang, and Puru Jena J. Phys. Chem. Lett(IP=6.213)3, 1084 (2012)

•Ferromagnetism in Two-Dimensional Carbon Chains Linked by 1,3,5 Benzenetriyl Units Xiaowei Li, Qian Wang*, and Puru Jena, J. Phys. Chem. C(IP=4.805)115, 19621, (2011)

•Effects of charging and doping on orbital hybridizations and distributions in TiO2 clusters Hong Min Zhao,MiaomiaoWu, Qian Wang*, and Puru Jena Physica B(IP=0.916)406, 4322 (2011)

自旋電子學材料的研究

•Ferromagnetism in Mn-doped GaNnanowires Q. Wang, et al., Phys. Rev. Lett. 95, 167202 (2005)

•Anti-ferromagnetic Coupling Driven by Bond Length Contraction Near GaMnN FilmSurface Q. Wang, et al., Phys. Rev. Lett. 93, 155501 (2004)

•Ferromagnetic GaN-Cr Nanowires Q. Wang, et al., Nano Letters5, 1587 (2005)

•Mg-doped GaN nanostructures: Energetics, magnetism, and H2 adsorption Q. Wang, et al., Appl. Phys. Lett.94, 013108 (2009)

•First-principles study of magnetic properties in V-doped ZnO Q. Wang, et al., Appl. Phys. Lett.91, 063116 (2007)

•Magnetic Coupling Between Cr Atoms Doped at Bulk and Surface Sites of ZnO Q. Wang, et al., Appl. Phys. Lett.87, 162509 (2005)

•First-principles study of magnetism in (11-20) Zn1-xMnxO thin film Q. Wang, et al., Appl. Phys. Lett. 84, 4170 (2004)

•Magnetism in ZnO nanowire with Fe/Co co-doping: First principles density functional calculations S. Ghosh, Q. Wang, G. P.Das, and P. Jena, Phys. Rev. B 81, 235215 (2010)

•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 Q. Wang, et al., Phys. Rev. B79, 115407 (2009)

•Vacancy-induced magnetism in ZnO thin films and nanowires Q. Wang, et al., Phys. Rev. B 77, 205411 (2008)

•Ferromagnetic to ferrimagnetic crossover in Cr-doped GaNnanohole arrays Q. Wang, et al., Phys. Rev. B 75, 075312 (2007)?

•Ab Initio Study of Electronic and Magnetic Properties of the C-codoped Ga1-xMnxN(10-10) Surface Q. Wang, et al., Phys. Rev. B 75, 035322 (2007)

•Clustering of Cr in GaN Nanotubes and the Onset of Ferrimagnetic Order Q. Wang, et al., Phys. Rev. B 73, 115411 (2006)

•Ferromagnetism in Al1-xCrxN Thin Films by Density Functional Calculations Q. Wang, et al., Phys. Rev. B 73, 115411 (2006)

•Ab Initio Study of Ferromagnetism in Ga1-xCrxN Thin Film Q. Wang, et al., Phys. Rev. B72, 045435 (2005)

•Carrier-mediated Ferromagnetism in N Co-doped (Zn, Mn)O (10-10) Thin Film Q. Wang, et al., Phys. Rev. B 70, 052408 (2004)

•Magnetism and Energetics of Mn-doped ZnO (10-10) Thin Film Q. Wang, et al., Phys. Rev. B 69, 233310 (2004)

•First Principles Study of Ferromagnetic Coupling in Zn1-xCrxTe Thin Film Q. Wang, et al., J. Appl. Phys 97 (2005) 043904

•N-doped ZnO thin films and nanowires: energetics, impurity distribution and magnetism Q. Wang, et al., New Journal of Physics 11, 063035 (2009)

•First-principles study of the effect of vacancies on magnetic properties? ofZn1-xCoxO thin films Q. Wang, et al., J. Phys. Condens. Matter. 12, 076002(2010)

原子團簇與組裝材料

•Tuning magnetic properties of Mn4 cluster with gold coating Q. Wang, et al.,PhysChemPhysChem12, 1493（2010）

•Probing the existence of energetically degenerate cluster isomers by chemical tagging Q. Wang, Appl. Phys. Lett. 97, 223104 (2010)

•Superhalogen properties of CuFn clusters Q. Wang, et al., J. Chem. Phys. 131, 124301 (2009)

•Stabilizing a 22 karat nanogolden cage Q. Wang, et al., J. Chem. Phys. 131, 204501 (2009)

•Theoretical Study of Hydrogen Storage in Ca-Coated Fullerenes Q. Wang, et al., J. Chem. Theory Comput. 5(2), 374 (2009)

•Potential of AlN Nanostructures as Hydrogen Storage Materials Q. Wang，et al., ACS NANO 3, 621 (2009)

•Ligand induced ferromagnetism in ZnO nanostructures Q. Wang, et al., J. Chem. Phys. 129, 164714 (2008)

•Nitrogen-induced magnetic transition in small chromium clusters Q. Wang, et al.,J. Chem. Phys. 119, 7124 (2003)

•First Principles studies of La doped B36N36 cage Q. Wang, et al.,Physica B 339, 105 (2003)

•Structure and Stability of Magic Ar6Fe+Cluster Q. Wang,et al., Mater. Trans. JIM, 42, 2601(2001)

•Nonmetal-Metal Transition in Barium Cluster Q. Wang, et al., SolidStateCommunication 117, 635 (2001)

•Capacitance of Magic Barium Cluster Nanomaterials Q. Wang, et al., Scripta Mater 44, 1959(2001)

•Structures of magic Ba clusters and magic Ba suboxide clusters Q. Wang, et al., Phys. Rev. A 62, 063203(2000)

•First-Principles Studies on Magnetism of Ni Clusters Coated and Alloyed with Pd Q. Wang, et al., Phys. Lett. A 267, 394 (2000)

•Geometry and Electronic Structures of Magic Iron Oxide Cluster Q. Wang, et al., Phys. Rev. B 59, 12672 (1999)

已在SCI刊物上發表論文120餘篇，其中18篇研究論文被選入Virtual Journal of Nanoscale Science & Technology, covering a focused areaof frontier research；論文他引2400餘次；多項研究成果被 Science News, Science Today, Today’s News, innovation report,China National News等科技新聞媒體亮點報道。

為 Phys. Rev. Lett.，Phys. Rev. B；ACS Nano，Appl. Phys. Lett,等著名國際刊物審閱了大量的稿件。

課程

《材料計算科學與工程》《文科高等數學》

自2006年起擔任美國能源部(The Office of Basic Energy Sciences)基礎能源科學項目的評審專家。

自2007起擔任亞洲計算材料學術討論會國際顧問委員會成員，擔任長江學者和長江學者成就獎的通訊評審專家。

多次擔任國際納米材料會議的分會執行主席。