人物经历
2002年9月－2006年7月，重庆大学材料化学专业，获理学学士学位；
2006年9月－2011年7月，南开大学无机化学专业，获得理学博士学位；
2011年8月－2013年8月，美国波多黎各大学化学系，博士后；
2012年4月－2012年5月，美国内布拉斯加大学林肯分校化学系，短期访问学者；
2013年9月－现在，南京师范大学化学与材料科学学院，江苏特聘教授。
研究方向：
计算化学，计算材料学，计算纳米科学。
科研项目：
1.国家自然科学基金青年基金, 26万，2015.01－2017.12。
2.江苏特聘教授配套科研基金200万元，2014.01－2016.12。
3.南京师范大学校百名青年领军人才基金，50万，2013.05－2017.05。
4.南京师范大学高层次引进人才启动经费，8万，2013.09－2016.09。
主要论著
|
主要论著 |
刊载 |
年度 |
|
Atomically Thin Arsenene and Antimonene: Semimetal–Semiconductor and Indirect–Direct Band‐Gap Transitions |
Angewandte Chemie |
2015年 |
|
Ultrastable Polymolybdate-Based Metal Organic Frameworks as Highly Active Electrocatalysts for Hydrogen Generation from Water |
Journal of the American Chemical Society |
2015年 |
|
Atomically Thin Arsenene and Antimonene: Semimetal-Semiconductor and Indirect-Direct Band-Gap Transitions |
Angewandte Chemie |
2015年 |
|
Exploration of High-Performance Single-Atom Catalysts on Support M1/FeOx for CO Oxidation via Computational Study |
ACS catalysis |
2015年 |
|
Two-dimensional iron-phthalocyanine (Fe-Pc) monolayer as a promising single-atom-catalyst for oxygen reduction reaction: a computational study |
Nanoscale |
2015年 |
|
Five-Fold Twinned Pd2NiAg Nanocrystals with Increased Surface Ni Site Availability to Improve Oxygen Reduction Activity |
Journal of the American Chemical Society |
2015年 |
|
Be2C Monolayer with Quasi-Planar Hexacoordinate Carbons: A Global Minimum Structure |
Angewandte Chemie International Edition |
2014年 |
|
Self-Modulated Band Structure Engineering in C4F Nanosheets: First-Principles Insights |
J. Chem. Theory Comput. |
2014年 |
|
Antifouling, High-Flux Nanofiltration Membranes Enabled by Dual Functional Polydopamine |
ACS Appl. Mater. Interfaces |
2014年 |
|
Reducing Band Gap and Enhancing Carrier Mobility of Boron Nitride Nanoribbons by Conjugated π Edge States |
J. Phys. Chem. C |
2014年 |
|
Preserving the edge magnetism of graphene nanoribbons by iodine termination: a computational study |
Theoretical Chemistry Accounts |
2014年 |
|
Tuning band gaps of BN nanosheets and nanoribbons via interfacial dihalogen bonding and external electric field |
Nanoscale |
2014年 |
|
Tuning Electronic Properties of Germanane Layers by External Electric Field and Biaxial Tensile Strain: A Computational Study |
J. Phys. Chem. C, |
2014年 |
|
XH/π (X = C, Si) Interactions in Graphene and Silicene: Weak in Strength, Strong in Tuning Band Structures |
J. Phys. Chem. Lett |
2013年 |
|
From Vanadium Naphthalene (Vn–1Npn) Sandwich Clusters to VNp Sandwich Nanowire: Structural, Energetic, Electronic, and Magnetic Properties |
J. Phys. Chem. A, |
2012年 |
|
Graphane/Fluorographene Bilayer: Considerable C–H···F–C Hydrogen Bonding and Effective Band Structure Engineering |
J. Am. Chem. Soc. |
2012年 |
|
Tuning Electronic Structure of Bilayer MoS2 by Vertical Electric Field: A First-Principles Investigation |
J. Phys. Chem. C |
2012年 |
|
Enhanced Li Adsorption and Diffusion on MoS2 Zigzag Nanoribbons by Edge Effects: A Computational Study |
J. Phys. Chem. Lett. |
2012年 |
|
Electronic and Magnetic Properties of Hybrid Graphene Nanoribbons with Zigzag-Armchair Heterojunctions |
J. Phys. Chem. C |
2012年 |
|
Patterned Partially Hydrogenated Graphene (C4H) and Its One-Dimensional Analogues: A Computational Study |
J. Phys. Chem. C, |
2012年 |
|
Electronic and Magnetic Properties of BN Monolayer Sheets with H-or O-Saturated Vacancies: A First-Principles Study |
Journal of Computational and Theoretical Nanoscience |
2011年 |
|
SiC2 Silagraphene and Its One-Dimensional Derivatives: Where Planar Tetracoordinate Silicon Happens |
Journal of the American Chemical Society |
2011年 |
|
Metal-decorated defective BN nanosheets as hydrogen storage materials |
Frontiers of Physics |
2011年 |
|
How do surface and edge effects alter the electronic properties of GaN nanoribbons? |
Journal of Physical Chemistry C (Formerly: Journal of Physical Chemistry-1951) |
2011年 |
|
Bi2O3− Bi2WO6 composite microspheres: hydrothermal synthesis and photocatalytic performances |
Journal of Physical Chemistry C (Formerly: Journal of Physical Chemistry-1951) |
2011年 |
|
Hydrogenation: A Simple Approach To Realize Semiconductor-Half-Metal-Metal Transition in Boron Nitride Nanoribbons |
Journal of the American Chemical Society |
2010年 |
|
CO catalytic oxidation on iron-embedded graphene: computational quest for low-cost nanocatalysts |
J. Phys. Chem. C, |
2010年 |
|
Two-dimensional polyphenylene: experimentally available porous graphene as a hydrogen purification membrane |
Chemical Communications |
2010年 |
|
Tuning Electronic and Magnetic Properties of Wurtzite ZnO Nanosheets by Surface Hydrogenation |
Acs Applied Materials and Interfaces |
2010年 |
|
Achieving ferromagnetism in single-crystalline ZnS wurtzite nanowires via chromium doping |
Journal of Physical Chemistry C (Formerly: Journal of Physical Chemistry-1951) |
2010年 |
|
Computational Investigation on Structural and Physical Properties of AlN Nanosheets and Nanoribbons |
Journal of Nanoscience and Nanotechnology |
2010年 |
|
Electronic Structure and Reactivity of Boron Nitride Nanoribbons with Stone-Wales Defects |
Journal of Chemical Theory and Computation |
2009年 |
|
Structural and Electronic Properties of Graphane Nanoribbons |
Journal of Physical Chemistry C (Formerly: Journal of Physical Chemistry-1951) |
2009年 |
|
Spin Gapless Semiconductor-Metal-Half-Metal Properties in Nitrogen-Doped Zigzag Graphene Nanoribbons |
ACS Nano |
2009年 |
|
Ca-Coated Boron Fullerenes and Nanotubes as Superior Hydrogen Storage Materials |
Nano Letters |
2009年 |
|
How Different Are BN Nanotubes from Carbon Nanotubes? |
Journal of Computational and Theoretical Nanoscience, |
2009年 |
|
Computational studies on hydrogen storage in aluminum nitride nanowires/tubes |
Nanotechnology |
2009年 |
|
Functionalization of BN nanotubes with free radicals: electroaffinity-independent configuration and band structure engineering |
Frontiers of Physics in China |
2009年 |
|
Do all wurtzite nanotubes prefer faceted ones? (5 pages) |
Journal of Chemical Physics |
2009年 |
|
Functionalization of BN nanotubes with dichlorocarbenes |
Nanotechnology |
2008年 |
|
Stone−Wales Defects in Single-Walled Boron Nitride Nanotubes: Formation Energies, Electronic Structures, and Reactivity |
J. Phys. Chem. C, |
2008年 |
|
Electronic structures of SiC nanoribbons |
Journal of Chemical Physics |
2008年 |
|
MoS 2 Nanoribbons: High Stability and Unusual Electronic and Magnetic Properties |
Journal of the American Chemical Society |
2008年 |
|
nanotubes with pyridinelike structures: -type semiconductors and Li storage materials |
The Journal of Chemical Physics |
2008年 |
|
Size- and Surface-dependent Stability, Electronic Properties, and Potential as Chemical Sensors: Computational Studies on One-dimensional ZnO Nanostructures |
Journal of Physical Chemistry C (Formerly: Journal of Physical Chemistry-1951) |
2008年 |
|
Transformation from chemisorption to physisorption with tube diameter and gas concentration: Computational studies on NH 3 adsorption in BN nanotubes |
The Journal of Chemical Physics |
2007年 |
|
Band gap modulation of Janus graphene nanosheets by interlayer hydrogen bonding and the external electric field: a computational study |
Journal of Materials Chemistry C |
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