Theoretical investigation of CO2 electroreduction on N (B)-doped graphdiyne mononlayer supported single copper atom
出版年份 2020 全文链接
标题
Theoretical investigation of CO2 electroreduction on N (B)-doped graphdiyne mononlayer supported single copper atom
作者
关键词
Graphdiyne, Single-atom catalysts, CO, 2, electroreduction, Electronegativity of coordinated elements, First principles
出版物
APPLIED SURFACE SCIENCE
Volume 538, Issue -, Pages 148145
出版商
Elsevier BV
发表日期
2020-10-15
DOI
10.1016/j.apsusc.2020.148145
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- CO2 Reduction: From Homogeneous to Heterogeneous Electrocatalysis
- (2020) Sheng Zhang et al. ACCOUNTS OF CHEMICAL RESEARCH
- 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
- Accelerating Atomic Catalyst Discovery by Theoretical Calculations‐Machine Learning Strategy
- (2020) Mingzi Sun et al. Advanced Energy Materials
- 2D graphdiyne loading ruthenium atoms for high efficiency water splitting
- (2020) Huidi Yu et al. Nano Energy
- Electrochemical CO2 Reduction to CO Catalyzed by 2D Nanostructures
- (2020) Chaitanya B. Hiragond et al. Catalysts
- Boosting CO2 Electroreduction to CH4 via Tuning Neighboring Single Copper Sites
- (2020) Anxiang Guan et al. ACS Energy Letters
- Strategies in catalysts and electrolyzer design for electrochemical CO2 reduction toward C2+ products
- (2020) Lei Fan et al. Science Advances
- Descriptor-Based Design Principle for Two-Dimensional Single-Atom Catalysts: Carbon Dioxide Electroreduction
- (2020) Hao Yuan et al. Journal of Physical Chemistry Letters
- Heterogeneous Catalysts with Well‐Defined Active Metal Sites toward CO 2 Electrocatalytic Reduction
- (2020) Deren Yang et al. Advanced Energy Materials
- BN cluster-doped graphdiyne as visible-light assisted metal-free catalysts for conversion CO2 to hydrocarbon fuels
- (2020) Zhen Feng et al. NANOTECHNOLOGY
- Promoting electrocatalytic CO2 reduction to formate via sulfur-boosting water activation on indium surfaces
- (2019) Wenchao Ma et al. Nature Communications
- 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
- Computational Evaluation of Electrocatalytic Nitrogen Reduction on TM Single-, Double-, and Triple-Atom Catalysts (TM = Mn, Fe, Co, Ni) Based on Graphdiyne Monolayers
- (2019) Dongwei Ma et al. Journal of Physical Chemistry C
- Highly Efficient and Selective Generation of Ammonia and Hydrogen on a Graphdiyne-Based Catalyst
- (2019) Lan Hui et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Polymorph selection towards photocatalytic gaseous CO2 hydrogenation
- (2019) Tingjiang Yan et al. Nature Communications
- Mapping of atomic catalyst on graphdiyne
- (2019) Mingzi Sun et al. Nano Energy
- Advances and challenges in understanding the electrocatalytic conversion of carbon dioxide to fuels
- (2019) Yuvraj Y. Birdja et al. Nature Energy
- Doping sp-hybridized B atoms in graphyne supported single cobalt atoms for hydrogen evolution electrocatalysis
- (2019) Xiaoping Gao et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- The single-Mo-atom-embedded-graphdiyne monolayer with ultra-low onset potential as high efficient electrocatalyst for N2 reduction reaction
- (2019) Xingwu Zhai et al. APPLIED SURFACE SCIENCE
- Well-Defined Materials for Heterogeneous Catalysis: From Nanoparticles to Isolated Single-Atom Sites
- (2019) Zhi Li et al. CHEMICAL REVIEWS
- Data-driven design of metal–organic frameworks for wet flue gas CO2 capture
- (2019) Peter G. Boyd et al. NATURE
- Engineering the Coordination Environment of Single-Atom Platinum Anchored on Graphdiyne for Optimizing Electrocatalytic Hydrogen Evolution
- (2018) Xue-Peng Yin et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Emerging Two-Dimensional Nanomaterials for Electrocatalysis
- (2018) Huanyu Jin et al. CHEMICAL REVIEWS
- Anchoring zero valence single atoms of nickel and iron on graphdiyne for hydrogen evolution
- (2018) Yurui Xue et al. Nature Communications
- Ultrathin graphdiyne film on graphene through solution-phase van der Waals epitaxy
- (2018) Xin Gao et al. Science Advances
- Heterogeneous single-atom catalysis
- (2018) Aiqin Wang et al. Nature Reviews Chemistry
- First-Principles Study on the Single Ir Atom Embedded Graphdiyne: An Efficient Catalyst for CO Oxidation
- (2018) Guoliang Xu et al. Journal of Physical Chemistry C
- Few-layer graphdiyne doped with sp-hybridized nitrogen atoms at acetylenic sites for oxygen reduction electrocatalysis
- (2018) Yasong Zhao et al. Nature Chemistry
- Molecular Scaffolding Strategy with Synergistic Active Centers To Facilitate Electrocatalytic CO2 Reduction to Hydrocarbon/Alcohol
- (2017) Yan Jiao et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Ionic Exchange of Metal–Organic Frameworks to Access Single Nickel Sites for Efficient Electroreduction of CO2
- (2017) Changming Zhao et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Identification of Possible Pathways for C–C Bond Formation during Electrochemical Reduction of CO2: New Theoretical Insights from an Improved Electrochemical Model
- (2016) Jason D. Goodpaster et al. Journal of Physical Chemistry Letters
- Atomistic Mechanisms Underlying Selectivities in C1 and C2 Products from Electrochemical Reduction of CO on Cu(111)
- (2016) Hai Xiao et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Theoretical insight on reactivity trends in CO2 electroreduction across transition metals
- (2016) Sneha A. Akhade et al. Catalysis Science & Technology
- Self-catalyzed growth of Cu@graphdiyne core–shell nanowires array for high efficient hydrogen evolution cathode
- (2016) Yurui Xue et al. Nano Energy
- Theoretical Insights into a CO Dimerization Mechanism in CO2 Electroreduction
- (2015) Joseph H. Montoya et al. Journal of Physical Chemistry Letters
- Synthesis of Graphdiyne Nanowalls Using Acetylenic Coupling Reaction
- (2015) Jingyuan Zhou et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
- (2014) Kiran Mathew et al. JOURNAL OF CHEMICAL PHYSICS
- Trends in electrochemical CO2 reduction activity for open and close-packed metal surfaces
- (2014) Chuan Shi et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Activity Descriptors for CO2 Electroreduction to Methane on Transition-Metal Catalysts
- (2012) Andrew A. Peterson et al. Journal of Physical Chemistry Letters
- Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions
- (2011) Mengqiu Long et al. ACS Nano
- Single-atom catalysis of CO oxidation using Pt1/FeO x
- (2011) Botao Qiao et al. Nature Chemistry
- Architecture of graphdiyne nanoscale films
- (2010) Guoxing Li et al. CHEMICAL COMMUNICATIONS
- 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
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