Tao Gao

Ph.D., Professor

Selected Publications

1)Li, Shichang; Ao, Bingyun; Ye, Xiaoqiu;Gao,Tao*; New, Insights into the Crystal Structures of Plutonium Hydrides from First-Principles Calculations,JOURNAL OF PHYSICAL CHEMISTRY C  Vol.122,10103-10112,2018

2)Yang, Quan-Shun; Li, Shi-Chang; Yu, You;Gao,Tao*; Theoretical Study of the Feasibility of Laser Cooling the (MgCl)-Mg-24-Cl-35 Molecule Including Hyperfine Structure and Branching Ratios,JOURNAL OF PHYSICAL CHEMISTRY A  Vol.122,3021-3030,2018

3)Kong, Xianggang; Yu, You; Ma, Shenggui;Gao,Tao*;The investigation of adsorption and dissociation of H2O on Li2O (111) by ab initio theory,APPLIED SURFACE SCIENCE  Vol.407,44-51,2017

4)Ma, Sheng-Gui; Shen, Yan-Hong; Kong, Xiang-Gang;Gao*,Tao; A new interatomic pair potential for the modeling of crystalline Li2SiO3, MATERIALS & DESIGN ,Vol.118,218-225,2017

5)Yuan, Zhihong; Gao, Tao*; Zheng, Yuanlei;First-principles study on structural, electronic, vibrational and thermodynamic properties of Sr-10(PO4)(6)X-2(X = F, Cl, Br),RSC ADVANCES,Vol.7,30310-30319,2017

6)Zhu, Shuangshuang; Peng, Feng; Liu, Hanyu;Gao,Tao*,Stable Calcium Nitrides at Ambient and High Pressures,INORGANIC CHEMISTRY,Vol.55,7550-7555,2016

7)Yang, Rong; Tang, Bin; Gao, Tao*;Structural, magnetic, electronic and optical properties of PuC and PuC0.75: A hybrid density functional study,JOURNAL OF NUCLEAR MATERIALS,Vol.473,54-60,2016

8)Shen, Yanhong; Gao, Tao*;Ab initio study of the lattice stability of beta-SiC under intense laser irradiation,JOURNAL OF ALLOYS AND COMPOUNDS,Vol.645,193-198,2015

9)Yang, Jinwen; Gao, Tao;* Liu, Benqiong;Elastic anisotropy, vibrational, and thermodynamic properties of U2Ti intermetallic compound with AlB2-type structure under high pressure up to 100GPa,JOURNAL OF APPLIED PHYSICS,Vol.117,125903,2015

10)Gao, Yu-Feng; Gao, Tao*,Laser cooling of BH and GaF: insights from an ab initio study,PHYSICAL CHEMISTRY CHEMICAL PHYSICS  vol.17,10830-10837,2015

11)Gao, Yufeng; Gao, Tao*,Laser cooling of the alkaline-earth-metal monohydrides: Insights from an ab initio theory study,PHYSICAL REVIEW A,vol.90,052506,2014

12),Li, Peng; Niu, Wenxia; Gao, Tao*;Water O-H Bond Activation by Gas-Phase Plutonium Atoms: Reaction Mechanisms and Ab Initio Molecular Dynamics StudyCHEMPHYSCHEM,Vol.15,3078-3088,2014