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Highly Selective, Defect-Induced Photocatalytic CO2 Reduction to Acetaldehyde by the Nb-Doped TiO(2)( )Nanotube Array under Simulated Solar Illumination 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2020, 卷号: 12, 期号: 50, 页码: 55982-55993
作者:  Qian, Xinzhu;  Yang, Weiyi;  Gao, Shuang;  Xiao, Jun;  Basu, Swastik;  Yoshimura, Anthony;  Shi, Yunfeng;  Meunier, Vincent;  Li, Qi
收藏  |  浏览/下载：153/0  |  提交时间：2021/03/15
photocatalytic CO2 reduction  Nb-doped TiO2 nanotube array  CO(2 )adsorption and activation  acetaldehyde  simulated solar illumination  
Direct MP2 Molecular Dynamics Studies of H Atom Reaction with CD(4) and CH(4) 期刊论文
International Journal of Quantum Chemistry, 2011, 卷号: 111, 期号: 15, 页码: 4433-4442
作者:  P. Lu;  X. Y. Kuang;  H. F. Li;  H. Q. Wang
Adobe PDF(448Kb)  |  收藏  |  浏览/下载：99/0  |  提交时间：2012/04/13
Barrier Height  Electronic Structure Method  Direct Classical Trajectory  Calculation  Mp2/cc-pvdz  Bomd  Initio Classical Trajectories  Abstraction Reaction Dynamics  Potential-energy Surfaces  Hessian-based Integrators  Born-oppenheimer  Surface  Photodissociation  Acetaldehyde  Excitation  Hydrogen