检索结果-南通市图书馆

Aggregate 2022年第6期3卷 137-147页

作者： ilya v.chepkasov viktor S.Baidyshev Artem A.Golubnichiy Ivan S.Zamulin Alexander G.Kvashnin Sergey M.Kozlov Skolkovo Institute of Science and Technology MoscowRussia Katanov Khakas State University AbakanRussia Department of Chemical and Biomolecular Engineering National University of SingaporeSingaporeSingapore

Alloy nanoparticles(nanoalloys)are widely applied in heterogeneous catalysts,advanced electrodes,biomaterials,and other *** properties of nanoalloys can be tuned to a significant extent by their structures and compositions,which are governed by the employed synthetic *** such synthesis occurs in nonequilibrium conditions and yields nanoalloys with structures and properties that are different from those obtained in thermodynamic *** this work,we characterize how the non-equilibrium conditions during the synthesis of Cu-Au alloys via physical vapor deposition(PvD)affect their morphology,composition,electronic structure,and reactivity in CO *** used molecular dynamics to simulate the PvD synthesis of Cu-Au nanoalloys through the non-isothermal aggregation of Cu and Au atoms at a 3:1 ratio in the Ar atmosphere to obtain realistic structures of Cu-Au *** to the different aggregation kinetics of Au and Cu atoms,the average Au concentration in the obtained Cu-Au particles varied between 14% and 50% depending on the nanoparticle size and the aggregation *** functional simulations revealed that the reactivity of the obtained Cu-Au clusters toward CO and oxygen as well as Brønsted-Evans-Polanyi relations for CO oxidation significantly depend on whether the clusters had fcc,icosahedral,or amorphous structures and do not strongly correlate with the d-band centers of the adsorption *** study highlights the importance of the non-equilibrium character of nanoalloy structure and composition for their electronic structure and catalytic *** performed analysis of the reactivity of Cu-Au clusters with realistic structures in CO oxidation will help the optimization of Cu-Au catalysts for this societally important reaction.

关键词： alloys catalysis molecular dynamics

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

欢迎您,

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

请选择保存的检索档案：

请选择收藏分类：

通借通还

欢迎您,

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：