Yao-Xiao Zhao

Basic Information

 

 

Name

赵耀晓

Position

博士生 D3

Native place

山西

Hobby

运动 听歌

E-mail

zhaoyaoxiao@stu.xjtu.edu.cn

 

 

 


Research Fields

 内嵌金属富勒烯的理论研究

 

Honors & Awards

  

时间奖励发奖单位备注
2016-2017年度优秀研究生西安交通大学
2018-2019年度优秀研究生西安交通大学
2018-2019年度中化蓝天二等奖中化蓝天集团有限公司 
    

 

 

Publications

 

2019

[6] New Insight into U@C80: Missing U@D3(31921)‑C80 and Nuanced Enantiomers of U@C1(28324)‑C80

Yao Xiao Zhao, Meng Yang Li, Pei Zhao, Masahiro Ehara and Xiang Zhao*

Inorg.Chem., 2019, 58, 14159-14166

DOI: 10.1021/acs.inorgchem.9b02196


[5] In-Depth Theoretical Probe into Novel Mixed-Metal Uranium-Based Endohedral Clusterfullerenes Sc2UX@Ih(31924)‑C80 (X = C, N)

Yao Xiao Zhao, Kun Yuan, Meng Yang Li, Masahiro Ehara and Xiang Zhao*

Inorg.Chem., 2019,  58, 10769−10777.

DOI: 10.1021/acs.inorgchem.9b00996 


[4] Pivotal Role of Nonmetal Atoms in the Stabilities, Geometries, Electronic Structures, and Isoelectronic Chemistry of Sc3X@C80 (X = C, N, and O)

Yao Xiao Zhao, Meng Yang Li, Yi Ming Xiong, Shirin Rahmani, Kun Yuan, Rui Sheng Zhao, Masahiro Ehara, Shigeru Nagase and Xiang Zhao*

J. Comput. Chem., 2019, 40, 2730-2738.

DOI: 10.1002/jcc.26049


 

2018

[3] Unexpected diverseness on electronic density and bonding behaviours for Sc2X@C2v(63751)-C86 and Sc2X@C1(63755)-C86 (X = S and O)

Meng Yang Li, Jin Bo Cui, Yao Xiao Zhao, Pei Zhao, Qiao Zhi Li and Xiang Zhao*

Chem. Phys. Lett., 2018, 707, 93-100.

DOI: 10.1016/j.cplett.2018.07.035

  

[2] Unmasking the Optimal Isomers of Ti2C84: Ti2C2@C82 Instead of Ti2@C84
Yao Xiao Zhao, Meng Yang Li, Rui Sheng Zhao, Pei Zhao, Qiao Zhi Li and Xiang Zhao*

J. Phys. Chem. C, 2018, 122, 13148−13155

DOI: 10.1021/acs.jpcc.8b02192

  

[1] Insight into the Thermodynamically Preferred V3N@Ih(31924)-C80 and Acknowledged VxSc3-xN@Ih(31924)-C80 (x = 0, 1 and 2)

Meng Yang Li, Yao Xiao Zhao, Kun Yuan, Rui Sheng Zhao, Pei Zhao and Xiang Zhao*

Carbon, 2018, 132, 312-322.

DOI: 10.1016/j.carbon.2018.02.054