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题名: Confined catalysis under two-dimensional materials
作者: Li, Haobo1;  Xiao, Jianping1;  Fu, Qiang1;  Bao, Xinhe1
关键词: confined catalysis ;  two-dimensional materials ;  density functional theory ;  oxygen reduction reaction ;  graphene
刊名: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
发表日期: 2017-06-06
DOI: 10.1073/pnas.1701280114
卷: 114, 页:5930-5934
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology
类目[WOS]: Multidisciplinary Sciences
研究领域[WOS]: Science & Technology - Other Topics
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.
关键词[WOS]: HEXAGONAL BORON-NITRIDE ;  METAL-ORGANIC FRAMEWORKS ;  CO OXIDATION REACTION ;  OXYGEN REDUCTION ;  CARBON NANOTUBES ;  REVERSIBLE HYDROGENATION ;  ELECTRONIC CONFINEMENT ;  ACTIVE-SITE ;  GRAPHENE ;  INTERFACE
语种: 英语
WOS记录号: WOS:000402703800049
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/152213
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Collaborat Innovat Ctr Chem Energy Mat iChEM, Dalian 116023, Peoples R China

Recommended Citation:
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.
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