Coordination environment engineering of transition metal doped phthalocyanine single-atom catalysts for carbon dioxide reduction reaction: A DFT study
出版年份 2023 全文链接
标题
Coordination environment engineering of transition metal doped phthalocyanine single-atom catalysts for carbon dioxide reduction reaction: A DFT study
作者
关键词
-
出版物
Molecular Catalysis
Volume 550, Issue -, Pages 113617
出版商
Elsevier BV
发表日期
2023-10-13
DOI
10.1016/j.mcat.2023.113617
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Modulating the Asymmetric Atomic Interface of Copper Single Atoms for Efficient CO2 Electroreduction
- (2023) Pengyu Song et al. ACS Nano
- Synergistic effect and high performance of transition metal-anchored boron-doped graphyne electrocatalyst applied in the electroreduction of CO2 to C1 products: A DFT study
- (2023) Fang Xu et al. APPLIED SURFACE SCIENCE
- Coordination Environment Engineering to Boost Electrocatalytic CO2 Reduction Performance by Introducing Boron into Single-Fe-Atomic Catalyst
- (2022) Shuai Liu et al. CHEMICAL ENGINEERING JOURNAL
- Altering Ligand Fields in Single-Atom Sites through Second-Shell Anion Modulation Boosts the Oxygen Reduction Reaction
- (2022) Jiayi Qin et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Tuning precise numbers of supported nickel clusters on graphdiyne for efficient CO2 electroreduction toward various multi-carbon products
- (2022) Meiqi Yang et al. Journal of Energy Chemistry
- Mesopore–rich Fe–N–C catalyst with FeN 4 –O–NC Single Atom Sites Delivers Remarkable Oxygen Reduction Reaction Performance in Alkaline Media
- (2022) Lishan Peng et al. ADVANCED MATERIALS
- Coordination-tuned Fe single-atom catalyst for efficient CO2 electroreduction: The power of B atom
- (2022) Manman Ren et al. CHEMICAL ENGINEERING JOURNAL
- Density functional theory study of nitrogen-doped black phosphorene doped with monatomic transition metals as high performance electrocatalysts for N2 reduction reaction
- (2022) Xin Liu et al. NANOTECHNOLOGY
- Structure-Performance Descriptors and the Role of the Axial Oxygen Atom on M–N4–C Single-Atom Catalysts for Electrochemical CO2 Reduction
- (2022) Jing Wang et al. ACS Catalysis
- Theoretical investigation on electrocatalytic reduction of CO2 to methanol and methane by bimetallic atoms TM1/TM2-N@Gra (TM = Fe, Co, Ni, Cu)
- (2022) Xiaofei Wei et al. APPLIED SURFACE SCIENCE
- Theoretical study of transition metal doped α-borophene nanosheet as promising electrocatalyst for electrochemical reduction of N2
- (2022) Chenyin Li et al. Computational and Theoretical Chemistry
- Metal-Decorated Phthalocyanine Monolayer as a Potential Gas Sensing Material for Phosgene: A First-Principles Study
- (2022) Chen Wang et al. ACS Omega
- High-throughput screening of dual-atom doped PC6 electrocatalysts for efficient CO2 electrochemical reduction to CH4 by breaking scaling relations
- (2022) Chenyin Li et al. ELECTROCHIMICA ACTA
- Transition metal atoms anchored on nitrogen-doped α-arsenene as efficient electrocatalysts for nitrogen electroreduction reaction
- (2022) Xin Liu et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Metal Embedded Phthalocyanine Monolayers as Promising Materials for Toxic Formaldehyde Gas Detection: Insights from DFT Calculations
- (2022) Rou Xue et al. Metals
- Two-dimensional FePc and MnPc monolayers as promising materials for SF6 decomposition gases detection: Insights from DFT calculations
- (2022) Zhifeng Nie et al. APPLIED SURFACE SCIENCE
- Heterogeneous electrocatalytic reduction of carbon dioxide with transition metal complexes
- (2021) Ariel Friedman et al. JOURNAL OF CATALYSIS
- Density functional theory study of the sulfur/oxygen doped CoN4-graphene electrocatalyst for oxygen reduction reaction
- (2021) Xin Chen et al. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
- High-Throughput Screening of Nitrogen-Coordinated Bimetal Catalysts for Multielectron Reduction of CO2 to CH4 with High Selectivity and Low Limiting Potential
- (2021) Shuo Wang et al. Journal of Physical Chemistry C
- Polymer-metal complexes as emerging catalysts for electrochemical reduction of carbon dioxide
- (2021) Daniele Sassone et al. JOURNAL OF APPLIED ELECTROCHEMISTRY
- Cu acting as Fe activity promoter in dual-atom Cu/Fe-NC catalyst in CO2RR to C1 products
- (2021) Xiaofei Wei et al. APPLIED SURFACE SCIENCE
- Efficient electrochemical CO2 reduction on C2N monolayer supported transition metals trimer catalysts: A DFT study
- (2021) Wenying Zha et al. APPLIED SURFACE SCIENCE
- Central metal and ligand effects on oxygen electrocatalysis over 3d transition metal single-atom catalysts: A theoretical investigation
- (2021) Jinlong Liu et al. CHEMICAL ENGINEERING JOURNAL
- Synergistic ultra-high activity of double B doped graphyne for electrocatalytic nitrogen reduction
- (2021) Baotao Kang et al. CHEMICAL ENGINEERING JOURNAL
- Improving the Activity of Electrocatalysts toward the Hydrogen Evolution Reaction, the Oxygen Evolution Reaction, and the Oxygen Reduction Reaction via Modification of Metal and Ligand of Conductive Two-Dimensional Metal–Organic Frameworks
- (2021) Yanan Zhou et al. Journal of Physical Chemistry Letters
- Graphdiyne-supported single-cluster electrocatalysts for highly efficient carbon dioxide reduction reaction
- (2021) Pingji Ge et al. Nanoscale
- Construction of single-atom copper sites with low coordination number for efficient CO2 electroreduction to CH4
- (2021) Shaomin Wei et al. Journal of Materials Chemistry A
- Control over Electrochemical CO 2 Reduction Selectivity by Coordination Engineering of Tin Single‐Atom Catalysts
- (2021) Jiangyi Guo et al. Advanced Science
- Accelerating CO 2 Electroreduction to CO Over Pd Single‐Atom Catalyst
- (2020) Qun He et al. ADVANCED FUNCTIONAL MATERIALS
- Graphdiyne-Supported Single Iron Atom: A Promising Electrocatalyst for Carbon Dioxide Electroreduction into Methane and Ethanol
- (2020) Xin Liu et al. Journal of Physical Chemistry C
- Boosting CO2 Electroreduction to CH4 via Tuning Neighboring Single Copper Sites
- (2020) Anxiang Guan et al. ACS Energy Letters
- Design of a Graphene Nitrene Two-Dimensional Catalyst Heterostructure Providing a Well-Defined Site Accommodating One to Three Metals, with Application to CO2 Reduction Electrocatalysis for the Two-Metal Case
- (2020) Shiqian Chen et al. Journal of Physical Chemistry Letters
- Descriptor-Based Design Principle for Two-Dimensional Single-Atom Catalysts: Carbon Dioxide Electroreduction
- (2020) Hao Yuan et al. Journal of Physical Chemistry Letters
- Role of active sites in N-coordinated Fe-Co dual-metal doped graphene for oxygen reduction and evolution reactions: A theoretical insight
- (2020) Riming Hu et al. APPLIED SURFACE SCIENCE
- Ammonia Synthesis Using Single-Atom Catalysts Based on Two-Dimensional Organometallic Metal Phthalocyanine Monolayers under Ambient Conditions
- (2020) Chun-Xiang Huang et al. ACS Applied Materials & Interfaces
- Theoretical insight into two-dimensional M-Pc monolayer as an excellent material for formaldehyde and phosgene sensing
- (2020) Huihui Xiong et al. APPLIED SURFACE SCIENCE
- Welding Metallophthalocyanines into Bimetallic Molecular Meshes for Ultra-Sensitive, Low-Power Chemiresistive Detection of Gases
- (2019) Zheng Meng et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Impact of Interfacial Electron Transfer on Electrochemical CO2 Reduction on Graphitic Carbon Nitride/Doped Graphene
- (2019) Xing Zhi et al. Small
- Rhodium and Nitrogen Codoped Graphene as a Bifunctional Electrocatalyst for the Oxygen Reduction Reaction and CO2 Reduction Reaction: Mechanism Insights
- (2019) Yanan Meng et al. Journal of Physical Chemistry C
- Layered Confinement Reaction: Atomic‐level Dispersed Fe‐N4 Active Site Archoring Ultrathin Nitrogen Doped Carbon Nanosheets for CO2 Electroreduction
- (2019) Jinqin Tuo et al. ChemSusChem
- First principle study of feasibility of dinitrogen reduction to ammonia on two-dimensional transition metal phthalocyanine monolayer
- (2019) Shiqiang Liu et al. APPLIED SURFACE SCIENCE
- Electrochemical CO2 Reduction Reaction on M@Cu(211) Bimetallic Single-Atom Surface Alloys: Mechanism, Kinetics, and Catalyst Screening
- (2019) Yonghao Feng et al. ACS Sustainable Chemistry & Engineering
- Regulation of Coordination Number over Single Co Sites: Triggering the Efficient Electroreduction of CO2
- (2018) Xiaoqian Wang et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Bifunctional CoN x embedded graphene electrocatalysts for OER and ORR: A theoretical evaluation
- (2018) Xilin Zhang et al. CARBON
- Design of Single-Atom Co–N5 Catalytic Site: A Robust Electrocatalyst for CO2 Reduction with Nearly 100% CO Selectivity and Remarkable Stability
- (2018) Yuan Pan et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- C2N-graphene supported single-atom catalysts for CO2 electrochemical reduction reaction: mechanistic insight and catalyst screening
- (2018) Xudong Cui et al. Nanoscale
- A novel two-dimensional nickel phthalocyanine-based metal–organic framework for highly efficient water oxidation catalysis
- (2018) Hongxing Jia et al. Journal of Materials Chemistry A
- Efficient Selective Electroreduction of CO2 by Single Atom Catalyst TM-Pc Monolayers
- (2018) Jinhang Liu et al. ACS Sustainable Chemistry & Engineering
- Regulating the coordination environment of Co single atoms for achieving efficient electrocatalytic activity in CO2 reduction
- (2018) Zhigang Geng et al. APPLIED CATALYSIS B-ENVIRONMENTAL
- Exclusive Ni–N4 Sites Realize Near-Unity CO Selectivity for Electrochemical CO2 Reduction
- (2017) Xiaogang Li et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- The path towards sustainable energy
- (2017) Steven Chu et al. NATURE MATERIALS
- The irreversible momentum of clean energy
- (2017) Barack Obama SCIENCE
- Understanding activity and selectivity of metal-nitrogen-doped carbon catalysts for electrochemical reduction of CO2
- (2017) Wen Ju et al. Nature Communications
- TiC- and TiN-Supported Single-Atom Catalysts for Dramatic Improvements in CO2 Electrochemical Reduction to CH4
- (2017) Seoin Back et al. ACS Energy Letters
- Supported Cobalt Polyphthalocyanine for High-Performance Electrocatalytic CO 2 Reduction
- (2017) Na Han et al. Chem
- Platinum single-atom and cluster catalysis of the hydrogen evolution reaction
- (2016) Niancai Cheng et al. Nature Communications
- Iron-tetracyanobenzene complex derived non-precious catalyst for oxygen reduction reaction
- (2015) Ja-Yeon Choi et al. ELECTROCHIMICA ACTA
- Two-dimensional iron-phthalocyanine (Fe-Pc) monolayer as a promising single-atom-catalyst for oxygen reduction reaction: a computational study
- (2015) Yu Wang et al. Nanoscale
- CO2 Electroreduction Performance of Transition Metal Dimers Supported on Graphene: A Theoretical Study
- (2015) Yawei Li et al. ACS Catalysis
- Trends in electrochemical CO2 reduction activity for open and close-packed metal surfaces
- (2014) Chuan Shi et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Synthesis and structure of high-quality films of copper polyphthalocyanine – 2D conductive polymer
- (2013) Darya M. Sedlovets et al. MATERIALS RESEARCH BULLETIN
- Activity Descriptors for CO2 Electroreduction to Methane on Transition-Metal Catalysts
- (2012) Andrew A. Peterson et al. Journal of Physical Chemistry Letters
- Poly (zinc phthalocyanine) Nanoribbons and Their Application in the High-Sensitive Detection of Lead Ions
- (2012) Juan Deng et al. MACROMOLECULAR CHEMISTRY AND PHYSICS
- Anthropogenic Chemical Carbon Cycle for a Sustainable Future
- (2011) George A. Olah et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Single-atom catalysis of CO oxidation using Pt1/FeO x
- (2011) Botao Qiao et al. Nature Chemistry
- How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels
- (2010) Andrew A. Peterson et al. Energy & Environmental Science
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
- (2010) Stefan Grimme et al. JOURNAL OF CHEMICAL PHYSICS
- Single Layer of Polymeric Fe-Phthalocyanine: An Organometallic Sheet on Metal and Thin Insulating Film
- (2010) Mathieu Abel et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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