史乐教授

特聘研究员

博士生导师

E-mail: le.shi@mail.xjtu.edu.cn

个人主页：http://gr.xjtu.edu.cn/web/le.shi

研究方向：

1. 新型储能与能量转换系统中的第一性原理计算

2. 纳米受限环境下的物质输运机制

3. 基于二维材料的选择性交换膜的设计与制备

简介

工作学习经历

2018.11-至今        电气学院 教授、特聘研究员

2017.10-2018.10    香港科技大学机械与航空航天工程学系    Research Associate

2013.09-2017.08    香港科技大学机械与航空航天工程学系 博士

2009.09-2013.07    北京大学元培学院（物理学专业）学士

代表性论文

1. L. Shi; A. Xu; D. Pan; T.S. Zhao*. Aqueous proton-selective conduction across two-dimensional graphyne. Nat. Commun. 2019, 10, 1165.

2. L. Shi; A. Xu; T.S. Zhao*. Three-dimensional carbon-honeycomb as nano-porous lithium and sodium deposition scafflold. J. Phys. Chem. C2018, 122(37), 21262-21268.

3. L. Shi; A. Xu; G.H. Chen; T.S. Zhao*. Theoretical understanding of mechanism of proton exchange membranes made of 2D crystals with ultrahigh selectivity. J. Phys. Chem. Lett. 2017, 8(18), 4354-4361.

4. L. Shi; T.S. Zhao*. Recent advances in inorganic 2D materials and their applications in lithium and sodium batteries. J. Mater. Chem. A 2017, 5(8), 3735-3758. (ESI Highly Cited Paper)

5. L. Shi; A. Xu; T.S. Zhao*. First-principle investigations of the working mechanism of 2D h-BN as an interfacial layer for the anode of lithium metal batteries. ACS Appl. Mater. Interfaces2017, 9(2), 1987-1994.

6. L. Shi; T.S. Zhao*; A. Xu; Z.H. Wei. Unraveling the catalytic mechanism of rutile RuO2 for the oxygen reduction reaction and oxygen evolution reaction in Li-O2 batteries. ACS Catal. 2016, 6(9), 6285-6293.

7. L. Shi; A. Xu; T.S. Zhao*. RuO2 monolayer: A promising bifunctional catalytic material for the nonaqueous lithium-oxygen batteries. J. Phys. Chem. C2016, 120(12), 6356-6362.

8. L. Shi; T.S. Zhao*; A. Xu; J.B. Xu. Ab initio prediction of a silicene and graphene heterostructure as an anode materail for Li- and Na-ion batteries. J. Mater. Chem. A2016, 4(42), 16377-16382.

9. L. Shi; T.S. Zhao*; A. Xu; J.B. Xu. Ab initio prediction of borophene as an extraodinary anode material exhibiting ultrafast directional sodium diffusion for sodium-based batteries. Sci. Bull. 2016, 61(14), 1138-1144. (Cover Page) Highlighted by EurekAlert!

10. L. Shi; A. Xu; T.S. Zhao*. Formation of Li3O4 nano particles in the discharge products of non-aqueous lithium-oxygen batteries leads to lower charge overvoltage. Phys. Chem. Chem. Phys. 2015, 17(44), 29859-29866.

11. L. Shi; T.S. Zhao*. Why the charge overpotential in non-aqueous Li-O2 batteries is so high and exhibits different rising trends?.Sci. bull. 2015, 60(2), 281-282.

联系方式

通讯地址：陕西省西安市咸宁西路28号北四楼518

邮政编码：710049

邮箱：le.shi@mail.xjtu.edu.cn

欢迎对第一性原理计算及分子动力学模拟感兴趣的学生联系报考硕士、博士研究生！