1D metal-dithiolene wires as a new class of bi-functional oxygen reduction and evolution single-atom electrocatalysts
出版年份 2020 全文链接
标题
1D metal-dithiolene wires as a new class of bi-functional oxygen reduction and evolution single-atom electrocatalysts
作者
关键词
Computational screening, Oxygen reduction reaction, Oxygen evolution reaction, Bifunctional ORR/OER Catalyst, Density functional theory, Single-atom catalysts
出版物
JOURNAL OF CATALYSIS
Volume 393, Issue -, Pages 140-148
出版商
Elsevier BV
发表日期
2020-11-26
DOI
10.1016/j.jcat.2020.11.016
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。- Substantial improvement of electrocatalytic predictions by systematic assessment of solvent effects on adsorption energies
- (2020) Alejandra Rendón-Calle et al. APPLIED CATALYSIS B-ENVIRONMENTAL
- Solvation at metal/water interfaces: An ab initio molecular dynamics benchmark of common computational approaches
- (2020) Hendrik H. Heenen et al. JOURNAL OF CHEMICAL PHYSICS
- 2D transition metal–TCNQ sheets as bifunctional single-atom catalysts for oxygen reduction and evolution reaction (ORR/OER)
- (2019) Qingming Deng et al. JOURNAL OF CATALYSIS
- Structural Engineering of Low-Dimensional Metal-Organic Frameworks: Synthesis, Properties, and Applications
- (2019) Wenxian Liu et al. Advanced Science
- Improving the Activity of M−N 4 Catalysts for the Oxygen Reduction Reaction by Electrolyte Adsorption
- (2019) Katrine L. Svane et al. ChemSusChem
- Advances and challenges in modeling solvated reaction mechanisms for renewable fuels and chemicals
- (2019) Yasemin Basdogan et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- DFT study of stabilization effects on N-doped graphene for ORR catalysis
- (2018) Mateusz Reda et al. CATALYSIS TODAY
- Single Metal Atoms Anchored in Two-Dimensional Materials: Bifunctional Catalysts for Fuel Cell Applications
- (2018) Seoin Back et al. ChemCatChem
- Computational Screening of Doped α-MnO2 Catalysts for the Oxygen Evolution Reaction
- (2018) Vladimir Tripkovic et al. ChemSusChem
- Combinatorial selection of a two-dimensional 3d-TM-tetracyanoquinodimethane (TM-TCNQ) monolayer as a high-activity nanocatalyst for CO oxidation
- (2018) Qingming Deng et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Heterogeneous single-atom catalysis
- (2018) Aiqin Wang et al. Nature Reviews Chemistry
- Solvation effects on DFT predictions of ORR activity on metal surfaces
- (2018) Qiang Zhang et al. CATALYSIS TODAY
- A Stable Bifunctional Catalyst for Rechargeable Zinc-Air Batteries: Iron-Cobalt Nanoparticles Embedded in a Nitrogen-Doped 3D Carbon Matrix
- (2018) Xu Liu et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- DFT Study of the Oxygen Reduction Reaction on Carbon-Coated Iron and Iron Carbide
- (2018) Mateusz Reda et al. ACS Catalysis
- Computational screening of two-dimensional coordination polymers as efficient catalysts for oxygen evolution and reduction reaction
- (2017) Guoping Gao et al. JOURNAL OF CATALYSIS
- Thermodynamic assessment of the oxygen reduction activity in aqueous solutions
- (2017) Vladimir Tripkovic PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- How covalence breaks adsorption-energy scaling relations and solvation restores them
- (2017) Federico Calle-Vallejo et al. Chemical Science
- Orientation-Dependent Oxygen Evolution on RuO2 without Lattice Exchange
- (2017) Kelsey A. Stoerzinger et al. ACS Energy Letters
- Synthesis and Functionalization of Oriented Metal-Organic-Framework Nanosheets: Toward a Series of 2D Catalysts
- (2016) Guowu Zhan et al. ADVANCED FUNCTIONAL MATERIALS
- Recent advances in computational studies of organometallic sheets: Magnetism, adsorption and catalysis
- (2016) Guizhi Zhu et al. COMPUTATIONAL MATERIALS SCIENCE
- One dimensional metal dithiolene (M = Ni, Fe, Zn) coordination polymers for the hydrogen evolution reaction
- (2016) Courtney A. Downes et al. DALTON TRANSACTIONS
- Hexaaminobenzene as a building block for a Family of 2D Coordination Polymers
- (2016) Nabajit Lahiri et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Transition metal (Fe, Co, Ni, and Mn) oxides for oxygen reduction and evolution bifunctional catalysts in alkaline media
- (2016) Hannah Osgood et al. Nano Today
- Toward high permeability, selectivity and controllability of water desalination with FePc nanopores
- (2016) Qingming Deng et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Two-dimensional iron–tetracyanoquinodimethane (Fe–TCNQ) monolayer: an efficient electrocatalyst for the oxygen reduction reaction
- (2016) Nan Wang et al. RSC Advances
- Electron-doping induced half-metallicity in one-dimensional Co-dithiolene molecular wires
- (2016) Tingting Zhang et al. Journal of Materials Chemistry C
- Manganese oxide/functionalised carbon nanotubes nanocomposite as catalyst for oxygen reduction reaction in microbial fuel cell
- (2015) Kien Ben Liew et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Efficient Electrochemical and Photoelectrochemical H2 Production from Water by a Cobalt Dithiolene One-Dimensional Metal–Organic Surface
- (2015) Courtney A. Downes et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- CuCo2O4 ORR/OER Bi-Functional Catalyst: Influence of Synthetic Approach on Performance
- (2015) A. Serov et al. JOURNAL OF THE ELECTROCHEMICAL SOCIETY
- 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
- Magnetic ordering in TCNQ-based metal–organic frameworks with host–guest interactions
- (2015) Xuan Zhang et al. Inorganic Chemistry Frontiers
- Electrochemical and photochemical routes to semiconducting transition metal-tetracyanoquinodimethane coordination polymers
- (2014) Ayman Nafady et al. COORDINATION CHEMISTRY REVIEWS
- Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
- (2014) Kiran Mathew et al. JOURNAL OF CHEMICAL PHYSICS
- Strain engineering of selective chemical adsorption on monolayer MoS2
- (2014) Liangzhi Kou et al. Nanoscale
- Strain engineering the properties of graphene and other two-dimensional crystals
- (2014) Mark A. Bissett et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Free-Standing Single-Atom-Thick Iron Membranes Suspended in Graphene Pores
- (2014) J. Zhao et al. SCIENCE
- Phthalocyanine Metal Complexes in Catalysis
- (2013) Alexander B. Sorokin CHEMICAL REVIEWS
- Novel Two-Dimensional Tetragonal Monolayer: Metal–TCNQ Networks
- (2013) Yandong Ma et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Small Photocarrier Effective Masses Featuring Ambipolar Transport in Methylammonium Lead Iodide Perovskite: A Density Functional Analysis
- (2013) Giacomo Giorgi et al. Journal of Physical Chemistry Letters
- Single Layer of Polymeric Cobalt Phthalocyanine: Promising Low-Cost and High-Activity Nanocatalysts for CO Oxidation
- (2013) Qingming Deng et al. Small
- Unifying Solution and Surface Electrochemistry: Limitations and Opportunities in Surface Electrocatalysis
- (2013) Venkatasubramanian Viswanathan et al. TOPICS IN CATALYSIS
- Identifying active surface phases for metal oxide electrocatalysts: a study of manganese oxide bi-functional catalysts for oxygen reduction and water oxidation catalysis
- (2012) Hai-Yan Su et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation
- (2012) Jess Wellendorff et al. PHYSICAL REVIEW B
- Electrocatalytic Oxygen Evolution Reaction (OER) on Ru, Ir, and Pt Catalysts: A Comparative Study of Nanoparticles and Bulk Materials
- (2012) Tobias Reier et al. ACS Catalysis
- Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces
- (2011) Isabela C. Man et al. ChemCatChem
- Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2
- (2011) Emilio Scalise et al. Nano Research
- The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations
- (2010) Vladimir Tripković et al. ELECTROCHIMICA ACTA
- A Bifunctional Nonprecious Metal Catalyst for Oxygen Reduction and Water Oxidation
- (2010) Yelena Gorlin et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- 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
- Photocurrent properties of freely suspended carbon nanotubes under uniaxial strain
- (2009) S. M. Kaniber et al. APPLIED PHYSICS LETTERS
- Potential applications of metal-organic frameworks
- (2009) Ryan J. Kuppler et al. COORDINATION CHEMISTRY REVIEWS
- Alloys of platinum and early transition metals as oxygen reduction electrocatalysts
- (2009) J. Greeley et al. Nature Chemistry
- The problem with platinum
- (2008) Cordelia Sealy Materials Today
- Surface Pourbaix diagrams and oxygen reduction activity of Pt, Ag and Ni(111) surfaces studied by DFT
- (2008) Heine A. Hansen et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started