Cargando…

A Theoretical Study of Single-Atom Catalysis of CO Oxidation Using Au Embedded 2D h-BN Monolayer: A CO-Promoted O(2) Activation

The CO oxidation behaviors on single Au atom embedded in two-dimensional h-BN monolayer are investigated on the basis of first-principles calculations, quantum Born-Oppenheim molecular dynamic simulations (BOMD) and micro-kinetic analysis. We show that CO oxidation on h-BN monolayer support single g...

Descripción completa

Detalles Bibliográficos
Autores principales:	Mao, Keke, Li, Lei, Zhang, Wenhua, Pei, Yong, Zeng, Xiao Cheng, Wu, Xiaojun, Yang, Jinlong
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group 2014
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4069717/ https://www.ncbi.nlm.nih.gov/pubmed/24962006 http://dx.doi.org/10.1038/srep05441

Ejemplares similares

Coadsorption Interfered CO Oxidation over Atomically Dispersed Au on h-BN
por: Liu, Xin, et al.
Publicado: (2022)

Dynamic co-catalysis of Au single atoms and nanoporous Au for methane pyrolysis
por: Xi, Wei, et al.
Publicado: (2020)

Nb(2)S(2)C Monolayers with Transition Metal Atoms Embedded at the S Vacancy Are Promising Single-Atom Catalysts for CO Oxidation
por: Li, Manman, et al.
Publicado: (2023)

BN-Embedded Perylenes
por: Fang, Xiangdong
Publicado: (2021)

Understanding Single-Atom Catalysis in View of Theory
por: Zhang, Wenhua, et al.
Publicado: (2021)

Theoretical Investigations of the Electrochemical Reduction of CO on Single Metal Atoms Embedded in Graphene
por: Kirk, Charlotte, et al.
Publicado: (2017)

Growth mechanisms of monolayer hexagonal boron nitride (h-BN) on metal surfaces: theoretical perspectives
por: Islam, Md. Sherajul, et al.
Publicado: (2023)

Tip-activated single-atom catalysis: CO oxidation on Au adatom on oxidized rutile TiO(2) surface
por: Adachi, Yuuki, et al.
Publicado: (2023)

Role of sulfur vacancies in MoS(2) monolayers in stabilizing Co atoms for efficient CO oxidation
por: Li, Manman, et al.
Publicado: (2022)

Homogeneity and tolerance to heat of monolayer MoS(2) on SiO(2) and h-BN
por: Kim, Ho-Jong, et al.
Publicado: (2018)

Theoretical Study of Adsorption Behavior of Dimethylamine and Ammonia on Al- and Ga-Doped BN Monolayer Surfaces Based on DFT
por: Cao, Zhengqin, et al.
Publicado: (2022)

Effective Photoluminescence Imaging of Bubbles in hBN-Encapsulated WSe(2) Monolayer
por: Lee, Seong-Yeon, et al.
Publicado: (2020)

Preparation and Research of Monolayer WS(2) FETs Encapsulated by h-BN Material
por: Han, Tao, et al.
Publicado: (2021)

Spontaneous chemical functionalization via coordination of Au single atoms on monolayer MoS(2)
por: Liu, He, et al.
Publicado: (2020)

Controllable CO(2) electrocatalytic reduction via ferroelectric switching on single atom anchored In(2)Se(3) monolayer
por: Ju, Lin, et al.
Publicado: (2021)

Constructing asymmetric double-atomic sites for synergistic catalysis of electrochemical CO(2) reduction
por: Jiao, Jiqing, et al.
Publicado: (2023)

Carbon-doped BN nanosheets for metal-free photoredox catalysis
por: Huang, Caijin, et al.
Publicado: (2015)

Nanostructured Carbon-Doped BN for CO(2) Capture Applications
por: Mighri, Rimeh, et al.
Publicado: (2023)

Enhancing the electrocatalytic performance of SnX(2) (X = S and Se) monolayers for CO(2) reduction to HCOOH via transition metal atom adsorption: a theoretical investigation
por: Xia, Feifei, et al.
Publicado: (2023)

Monatomic reactions with single vacancy monolayer h-BN: DFT studies
por: Mondinos, Nicholas, et al.
Publicado: (2023)

Catalysis of Cu Cluster for NO Reduction by CO: Theoretical Insight into the Reaction Mechanism
por: Takagi, Nozomi, et al.
Publicado: (2019)

Highly sensitive work function type room temperature gas sensor based on Ti doped hBN monolayer for sensing CO(2), CO, H(2)S, HF and NO. A DFT study
por: Kalwar, Basheer Ahmed, et al.
Publicado: (2022)

Single Ru atoms with precise coordination on a monolayer layered double hydroxide for efficient electrooxidation catalysis
por: Wang, Zelin, et al.
Publicado: (2018)

Triptycene-terminated thiolate and selenolate monolayers on Au(111)
por: Liu, Jinxuan, et al.
Publicado: (2017)

Mo-doped boron nitride monolayer as a promising single-atom electrocatalyst for CO(2) conversion
por: Cui, Qianyi, et al.
Publicado: (2019)

Theoretical Study of ZnS Monolayer Adsorption Behavior for CO and HF Gas Molecules
por: Chhana, Lalmuan, et al.
Publicado: (2022)

Embedding Group VIII Elements into a 2D Rigid pc-C(3)N(2) Monolayer to Achieve Single-Atom Catalysts with Excellent OER Activity: A DFT Theoretical Study
por: Wang, Qingxian, et al.
Publicado: (2022)

Electro-Optical Properties of Monolayer and Bilayer Pentagonal BN: First Principles Study
por: Amiri, Mehran, et al.
Publicado: (2020)

Atomic Layer Deposition for Preparing Isolated Co Sites on SiO(2) for Ethane Dehydrogenation Catalysis
por: Huang, Renjing, et al.
Publicado: (2020)

A 1bn bid for atom project at Selby
por: Wainwright, M
Publicado: (2002)

Theoretical study of the structures of bimetallic Ag–Au and Cu–Au clusters up to 108 atoms
por: Du, Rongbin, et al.
Publicado: (2019)

Synthesis of Large-Scale Monolayer 1T′-MoTe(2) and Its Stabilization via Scalable hBN Encapsulation
por: Pace, Simona, et al.
Publicado: (2021)

Upconversion of Light into Bright Intravalley Excitons via Dark Intervalley Excitons in hBN-Encapsulated WSe(2) Monolayers
por: Jadczak, Joanna, et al.
Publicado: (2021)

Activation of CO and CO(2) on homonuclear boron bonds of fullerene-like BN cages: first principles study
por: Sinthika, S., et al.
Publicado: (2015)

A Mn-N(3) single-atom catalyst embedded in graphitic carbon nitride for efficient CO(2) electroreduction
por: Feng, Jiaqi, et al.
Publicado: (2020)

Modulating electron density of vacancy site by single Au atom for effective CO(2) photoreduction
por: Cao, Yuehan, et al.
Publicado: (2021)

Atomically Precise Incorporation of BN-Doped Rubicene into Graphene Nanoribbons
por: Pawlak, Rémy, et al.
Publicado: (2022)

hBN Flake Embedded Al(2)O(3) Thin Film for Flexible Moisture Barrier
por: Jang, Wonseok, et al.
Publicado: (2021)

Gas Sensing and Half-Metallic Materials Design Using Metal Embedded into S Vacancies in WS(2) Monolayers: Adsorption of NO, CO, and O(2) Molecules
por: Rangel-Cortes, Eduardo, et al.
Publicado: (2023)

Recent advances in the theoretical studies on the electrocatalytic CO(2) reduction based on single and double atoms
por: Meng, Yuxiao, et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_65bon5rt7r71k1u59g7u4jdi6q