Confined catalysis under two-dimensional materials

doi:10.1073/pnas.1701280114

	Confined catalysis under two-dimensional materials
	Li, Haobo; Xiao, Jianping; Fu, Qiang; Bao, Xinhe
刊名	PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
	2017-06-06
卷号	114 页码:5930-5934
关键词	Confined Catalysis Two-dimensional Materials Density Functional Theory Oxygen Reduction Reaction Graphene
DOI	10.1073/pnas.1701280114
英文摘要	Confined microenvironments formed in heterogeneous catalysts have recently been recognized as equally important as catalytically active sites. Understanding the fundamentals of confined catalysis has become an important topic in heterogeneous catalysis. Well-defined 2D space between a catalyst surface and a 2D material overlayer provides an ideal microenvironment to explore the confined catalysis experimentally and theoretically. Using density functional theory calculations, we reveal that adsorption of atoms and molecules on a Pt(111) surface always has been weakened under monolayer graphene, which is attributed to the geometric constraint and confinement field in the 2D space between the graphene overlayer and the Pt(111) surface. A similar result has been found on Pt(110) and Pt(100) surfaces covered with graphene. The microenvironment created by coating a catalyst surface with 2D material overlayer can be used to modulate surface reactivity, which has been illustrated by optimizing oxygen reduction reaction activity on Pt(111) covered by various 2D materials. We demonstrate a concept of confined catalysis under 2D cover based on a weak van der Waals interaction between 2D material overlayers and underlying catalyst surfaces.
语种	英语
WOS记录号	WOS:000402703800049
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/152213]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Collaborat Innovat Ctr Chem Energy Mat iChEM, Dalian 116023, Peoples R China
推荐引用方式 GB/T 7714	Li, Haobo,Xiao, Jianping,Fu, Qiang,et al. Confined catalysis under two-dimensional materials[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,2017,114:5930-5934.
APA	Li, Haobo,Xiao, Jianping,Fu, Qiang,&Bao, Xinhe.(2017).Confined catalysis under two-dimensional materials.PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,114,5930-5934.
MLA	Li, Haobo,et al."Confined catalysis under two-dimensional materials".PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 114(2017):5930-5934.