Computational studies of eletrochemical CO2 reduction on Cu4S cluser

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：zzzaaaqqq1314

【摘要】

：

　　With the rapid development of the global economy,the environmental problems caused by CO2 have become the focus of attention[1].The electrochemical reductio

【作者】

：

Qi-YanZhang;Hai-YanZhu;

【机构】

：

Institute of Modern,Northwest University,Xi 'an 710069,China

【出处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年期

下载到本地 , 更方便阅读

下载此文赞助VIP

声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架

论文部分内容阅读

　　With the rapid development of the global economy,the environmental problems caused by CO2 have become the focus of attention[1].The electrochemical reduction of CO2 is widely concerned because of its high reduction efficiency at room temperature and atmospheric pressure,it also can reduce the activation energy during reduction[2].

其他文献

The Study of C++H2 and Its Isotopic Reaction with Time-dependent Wave Packet Method

　　The time-dependent wave packet(TDWP)method has been used to calculate initial state selected reaction for the C+with H2 and its isotopic reaction on a new g

会议

18电子规则极限:密度泛函研究MO(CO)n+(M=Sc,Y,La)的几何演变

　　基于18 电子规则，一系列稳定的单核金属羰基化合物Y(CO)8+→Ti(CO)7→Cr(CO)6→Fe(CO)5→Ni(CO)4→Zn(CO)3 已经被理论或实验研究验证。

会议

子规则极限密度泛函研究几何金属羰基化合物实验研究验证稳定

A DFT study on the reaction mechanisms of alkene dehydrogenative silylation catalayzed by bis(imino)

　　An in-depth theoretical study has been performed to investigate the mechanism of dehydrogenative silylation catalyzed by the aryl-substituted bis(imino)pyri

会议

Density functional theory study on the mechanism of CO2 capture by K2CO3/TiO2

　　Potassium carbonate has been considered to be a potentially effective sorbent to capturing CO2 from power station flue gas due to highly cost effective and

会议

Effect of Coverage on CO and H2 Adsorption and Dissociation over Pd(111)Surface

　　Pd catalyst plays a key role in many industrial reactions,and Pd(111)is the most stable surface thermodynamically[1,2].

会议

Modification of Active Site for CO2 Hydrogenation on Cu(211)Surface by Doping Transition Metals

　　It is generally believed that Cu is the active phase for CO2 hydrogenation.Thus,characterizing the active sites of catalysts is crucial to developing novel

会议

Insights into the Preferential Mechanism of C-C Chain Growth in FTS on Hcp Co(10-10)-A Surface

　　Co is the preferred catalyst for FTS due to high activity,high selectivity to linear hydrocarbons and low activity toward WGS[1].A large number of studies h

会议

Effect of hydrogen adsorption on morphology changes of Fcc-Co surfaces structures:theoretical study

　　Fischer-Tropsch synthesis(FTS)is an effective way to transform the synthesis gas to a wide spectrum of hydrocarbons,such as long chain alkanes,olefins and o

会议

Density functional theory studies of the Oxygenation mechanism of the Alanine-Co(Ⅱ)-Pyridine Complex

　　The geometry optimizations, electronic properties and the frontier molecular orbitals of the Ala(alanine)-Co(Ⅱ)-Py(pyridine) complexes oxygenation process

会议

用于QTAIM分析的原子芯电子密度数据库

　　在相对论量子化学程序包DIRAC16 [1]中完成原子芯电子密度的约束线性最小二乘拟合程序。在二分量相对论从头算级别(AMFI-X2C/HF/Dyall-CVQZ)，对Z=3-120 化学元素常见RECP

会议

分析原子电子密度线性最小二乘拟合相对论量子化学径向函数化学元素

Computational studies of eletrochemical CO2 reduction on Cu4S cluser

与本文相关的学术论文