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南师英才

李亚飞

2016-10-31南师英才868 [    ]  [打印]

 

李亚飞教授

 

IMG_256 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。

 

IMG_256

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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