能源论坛121期-Photocatalysis on TiO2: Insights from Simulations
发布于:2017-07-06 14:44:42   |   作者:[学院] 能源学院   |   浏览次数:375
时间:2017年7月12日下午2:30-3:30
地址:清水河图书馆二楼E区光影报告厅
主办:研究生院
承办:能源科学与工程学院
范围:全校
报告人:Prof. Annabella Selloni, Princeton University, USA

报告内容

TiO2-based photocatalysis for the degradation of pollutants and the splitting of water into H2 and O2 has been an important area of research for decades. In this talk Prof. Selloni shall discuss recent applications of first principles electronic structure calculations and molecular dynamics simulations to understand materials properties and reaction mechanisms in TiO2-based heterogeneous photocatalysis. Examples will focus on the structure and reactivity of anatase TiO2 aqueous interfaces, the behavior of charge carriers at the interface, and the formation and structure of so called black TiO2, a promising functional material capable to absorb the whole spectrum of visible light.

报告人简介

Brief resume Annabella Selloni studied physics and attained her doctorate in 1979 at Swiss Federal Institute of Technology, is now the David B. Jones Professor of Chemistry at Princeton University since 2008. Prof. Selloni is interested in materials and processes that are relevant for energy applications and environmental remediation, e.g., metal oxides, photocatalysis and photovoltaics. Her group uses and develops computational tools based on density functional theory (DFT), time dependent density functional theory (TDDFT), and ab-initio molecular dynamics. Prof. Selloni group mainly focuses on structure, electronic properties and reactivity, especially at surfaces and interfaces. Prof. Selloni is the author of about 300 papers in Science, Nature Mater., JACS, PRL, et al., with h-factor of 68.

 

Honors Fellow of the European Academy of Sciences (2016); Plenary talk at FemEx-Oslo, Promoting Female Excellence in Theoretical & Computational Chemistry (2014); Max Planck Fellowship (Fritz-Haber-Institut, Berlin, 2009; July 2013); APS Outstanding Referee (2012); J. D. Lindsay Lectures Speaker at Texas A&M University (Fall 2012); Fellow of the American Physical Society (2008)