Basic Information

Name	征甲甲
Profession	京都大学博士后
Native place	安徽
Hobby	动画片
E-mail	stormpool@stu.xjtu.edu.cn

 

 

Research Fields

多孔配位聚合物气体吸附行为的理论研究

 

Publications

2017

[21] Epoxy and Oxidoannulene Oxidation Mechanisms of Fused-Pentagon Chlorofullerenes: Oxides Linked by a Pirouette-Type Transition State

Qiao-Zhi Li, Jia-Jia Zheng, Ling He, Xiang Zhao,* and Shigeru Nagase

J. Org. Chem. 2017, 82, 6541-6549.

DOI:10.1021/acs.joc.7b00408

 

[20] Formation of Stone-Wales Edge: Multistep Reconstruction and Growth Mechanisms of Zigzag Nanographene

Jing-Shuang Dang, Wei-Wei Wang, Jia-Jia Zheng, Xiang Zhao* and Shigeru Nagase

J. Comput. Chem. 2017, 38, 2241-2247.

DOI: 10.1002/jcc.24871

 

 

[19] Fused-Pentagon-Configuration-Dependent Electron Transfer of Monotitanium-Encapsulated Fullerenes

Jing-Shuang Dang, Wei-Wei Wang, Jia-Jia Zheng, Xiang Zhao* and Shigeru Nagase

Inorg. Chem. 2017, 56, 6890-6896.

DOI: 10.1021/acs.inorgchem.7b00284

 

 

[18] Van Der Waals Heterogeneous Layer-Layer Carbon Nanostructures Involving π...H-C-C-H...π...H-C-C-H Stacking Based on Graphene and Graphane Sheets

Kun Yuan, Rui-Sheng Zhao, Jia-Jia Zheng, Hong Zheng, Shigeru Nagase, Sheng-Dun Zhao, Yan-Zhi Liu and Xiang Zhao*

J. Comput. Chem. 2017, 38, 730-739.

DOI: 10.1002/jcc.24743

 

 

2016

[17] Stabilization of a Chlorinated ^#4348C₆₆:C_2v Cage by Encapsulating Monometal Species: Coordination between Metal and Double Hexagon-Condensed Pentalenes

Qiao-Zhi Li, Jia-Jia Zheng, Ling He, Shigeru Nagase and Xiang Zhao*

Inorg. Chem. 2016, 55, 7667-7675.

DOI:10.1021/acs.inorgchem.6b01134

 

 

[16] Magnetic and Electronic Properties of Porphyrin-Based Molecular Nanowires

Jia-Jia Zheng, Qiao-Zhi Li, Jing-Shuang Dang, Wei-Wei Wang and Xiang Zhao*

AIP Adv. 2016, 6, 015216.

DOI:10.1063/1.4941073

 

2015

[15] Effect of Modified Linkers of MOF-5 on Enhancing Interaction Energies: A Theoretical Study

Zuhor Ibrahim Salih, Yi-Jun Guo, Jia-Jia Zheng and Xiang Zhao*

Comput. Theor. Chem. 2015, 1058, 28-33.

DOI:10.1016/j.comptc.2015.01.022

 

 

[14] Azide Addition to Sc₂@C₆₆: Favorable Activity on Unsaturated Linear Triquinanes and Dramatic Reactivity Difference Compared with the Free C₆₆ Cage

Qiao-Zhi Li, Jia-Jia Zheng and Xiang Zhao*

Phys. Chem. Chem. Phys. 2015, 17, 20485-20489.

DOI:10.1039/c5cp03737a

 

 

[13] Bingel‒Hirsch Reaction on Sc₂@C₆₆: A Highly Regioselective Bond Neighboring to Unsaturated Linear Triquinanes

Qiao-Zhi Li, Jia-Jia Zheng and Xiang Zhao*

J. Phys. Chem. C 2015, 119, 26196-26201.

DOI:10.1021/acs.jpcc.5b08698

 

 

[12] Boosting Activation of Oxygen Molecules on C₆₀ Fullerene by Boron Doping

Qiao-Zhi Li, Jia-Jia Zheng, Jing-Shuang Dang and Xiang Zhao*

ChemPhysChem 2015, 16, 390-395.

DOI:10.1002/cphc.201402620

 

 

2014

[11] Unique Configuration of a Nitrogen-Doped Graphene Nanoribbon: Potential Applications to Semiconductor and Hydrogen Fuel Cell

Hong Zheng, Jia-Jia Zheng, Ling He and Xiang Zhao*

J. Phys. Chem. C 2014, 118, 24723-24729.

DOI:10.1021/jp507683t

 

 

2013

[10] Two-Dimensional Carbon Compounds Derived from Graphyne with Chemical Properties Superior to Those of Graphene

Jia-Jia Zheng, Xiang Zhao*, Yu-Liang Zhao and Xing-Fa Gao

Sci. Rep. 2013, 3, 1271.

DOI:10.1038/srep01271

 

 

[9] Tight-Binding Description of Graphyne and Its Two-Dimensional Derivatives

Jia-Jia Zheng, Xiang Zhao*, Shengbai B. Zhang and Xing-Fa Gao

J. Chem. Phys. 2013, 138, 244708.

DOI:10.1063/1.4811841

 

 

[8] Selective Growth of Fullerenes from C₆₀ to C₇₀: Inherent Geometrical Connectivity Hidden in Discrete Experimental Evidence

Wei-Wei Wang, Jing-Shuang Dang, Jia-Jia Zheng, Xiang Zhao* and Shigeru Nagase

J. Phys. Chem. C 2013, 117, 2349-2357.

DOI:10.1021/jp3100766

 

 

[7] Open-Shell Triplet Character of ^#6094C₆₈: Spherical Aromaticity, Thermodynamic Stability, and Regioselective Chlorination

Jing-Shuang Dang, Jia-Jia Zheng, Wei-Wei Wang and Xiang Zhao*

Inorg. Chem. 2013, 52, 4762-4764.

DOI:10.1021/ic400290a

 

 

2012

[6] Violating the Isolated Pentagon Rule (IPR): Endohedral Non-IPR C₉₈ Cages of Gd₂@C₉₈

Xiang Zhao*, Wei-Yin Gao, Tao Yang, Jia-Jia Zheng, Le-Sheng Li, Ling He, Rui-Jun Cao and Shigeru Nagase

Inorg. Chem. 2012, 51, 2039-2045.

DOI:10.1021/ic201585j

 

 

[5] Large Gadolinium Nitride Cluster Encapsulated inside a Non-IPR Carbon Cage: A Theoretical Characterization on Gd₃N@C₇₈

Tao Yang, Xiang Zhao*, Le-Sheng Li, Jia-Jia Zheng and Wei-Yin Gao

Chemphyschem 2012, 13, 449-452.

DOI:10.1002/cphc.201100767

 

 

[4] Metal-Promoted Restoration of Defective Graphene

Wei-Wei Wang, Jing-Shuang Dang, Jia-Jia Zheng, Xiang Zhao*, Eiji Osawa and Shigeru Nagase

J. Mater. Chem. 2012, 22, 16370-16375.

DOI:10.1039/c2jm31703f

 

 

[3] Heptagons in C₆₈: Impact on Stabilities, Growth, and Exohedral Derivatization of Fullerenes

Wei-Wei Wang, Jing-Shuang Dang, Jia-Jia Zheng and Xiang Zhao*

J. Phys. Chem. C 2012, 116, 17288-17293.

DOI:10.1021/jp304891e

 

 

[2] Fullerene Genetic Code: Inheritable Stability and Regioselective C₂ Assembly

Jing-Shuang Dang, Wei-Wei Wang, Jia-Jia Zheng, Xiang Zhao*, Eiji Osawa and Shigeru Nagase

J. Phys. Chem. C 2012, 116, 16233-16239.

DOI:10.1021/jp302881u

 

 

2011

[1] Density Functional Theory Characterization of Lanthanum Nitride Endohedral Fullerene: La₃N@C₉₂

Jia-Jia Zheng, Xiang Zhao*, Jing-Shuang Dang, Yong-Mei Chen, Qian Xu and Wei-Wei Wang

Chem. Phys. Lett. 2011, 514, 104-108.

DOI:10.1016/j.cplett.2011.08.026