Coordination-tuned Fe single-atom catalyst for efficient CO2 electroreduction: The power of B atom

Transition metal atoms (Fe, Co, Ni, Cu, Zn) doped RuIr surface for the hydrogen evolution reaction: A first-principles study

(2021) Manman Ren et al.   APPLIED SURFACE SCIENCE

Construction of Cr-embedded graphyne electrocatalyst for highly selective reduction of CO2 to CH4: A DFT study

(2021) Ling Fu et al.   CHEMICAL ENGINEERING JOURNAL

Can N, S Cocoordination Promote Single Atom Catalyst Performance in CO 2 RR? Fe‐N 2 S 2 Porphyrin versus Fe‐N 4 Porphyrin

(2021) Shoufu Cao et al.   Small

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

Single-atom platinum or ruthenium on C4N as 2D high-performance electrocatalysts for oxygen reduction reaction

(2021) Zhou Yang et al.   CHEMICAL ENGINEERING JOURNAL

Hybrid Metal–Boron Diatomic Site Embedded in C 2 N Monolayer Promotes C–C Coupling in CO 2 Electroreduction

(2021) Miaomiao He et al.   Small

Accelerating CO 2 Electroreduction to CO Over Pd Single‐Atom Catalyst

(2020) Qun He et al.   ADVANCED FUNCTIONAL MATERIALS

Tackling the Activity and Selectivity Challenges of Electrocatalysts towards Nitrogen Reduction Reaction via Atomically Dispersed Bi-Atom Catalysts

(2020) Xiangyu Guo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electrocatalytically Active Fe‐(O‐C 2 ) 4 Single‐Atom Sites for Efficient Reduction of Nitrogen to Ammonia

(2020) Shengbo Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Electrochemical reduction of carbon dioxide on precise number of Fe atoms anchored graphdiyne

(2020) Tianwei He et al.   Journal of CO2 Utilization

Stable and Efficient Single-Atom Zn Catalyst for CO2 Reduction to CH4

(2020) Lili Han et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Isolated FeN 4 Sites for Efficient Electrocatalytic CO 2 Reduction

(2020) Xiaogang Li et al.   Advanced Science

Engineering Atomically Dispersed FeN4 Active Sites for CO2 Electroreduction

(2020) Nadia Mohd Adli et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Turning on Zn 4s Electrons in a N2‐Zn‐B2 Configuration to Stimulate Remarkable ORR Performance

(2020) Jing Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Review of Catalyst Design and Mechanistic Studies for the Production of Olefins from Anthropogenic CO2

(2020) Devender Goud et al.   ACS Catalysis

Single-metal-atom catalysts: An emerging platform for electrocatalytic oxygen reduction

(2020) Yong Wang et al.   CHEMICAL ENGINEERING JOURNAL

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

Heterogeneous molecular catalysts for electrocatalytic CO2 reduction

(2019) Nathan Corbin et al.   Nano Research

Coordination tailoring towards efficient single-atom catalysts for N2 fixation: A case study of iron-nitrogen-carbon (Fe@N-C) systems

(2019) Xiangyu Guo et al.   CATALYSIS TODAY

Electrochemical Reduction of CO2 on Metal-Nitrogen-Doped Carbon Catalysts

(2019) Ana Sofia Varela et al.   ACS Catalysis

Scalable Production of Efficient Single-Atom Copper Decorated Carbon Membranes for CO2 Electroreduction to Methanol

(2019) Hengpan Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electrochemical CO 2 Reduction to C 1 Products on Single Nickel/Cobalt/Iron‐Doped Graphitic Carbon Nitride: A DFT Study

(2019) Chen Guo et al.   ChemSusChem

Implicit self-consistent electrolyte model in plane-wave density-functional theory

(2019) Kiran Mathew et al.   JOURNAL OF CHEMICAL PHYSICS

Activation of Ni Particles into Single Ni–N Atoms for Efficient Electrochemical Reduction of CO 2

(2019) Qun Fan et al.   Advanced Energy Materials

Regulation of Coordination Number over Single Co Sites: Triggering the Efficient Electroreduction of CO2

(2018) Xiaoqian Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Isolated Ni single atoms in graphene nanosheets for high-performance CO2 reduction

(2018) Kun Jiang et al.   Energy & Environmental Science

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

Mechanism of CO2 Reduction at Copper Surfaces: Pathways to C2 Products

(2018) Alejandro J. Garza et al.   ACS Catalysis

Electrochemical CO2 Reduction with Atomic Iron-Dispersed on Nitrogen-Doped Graphene

(2018) Chenhao Zhang et al.   Advanced Energy Materials

Solvation effects on DFT predictions of ORR activity on metal surfaces

(2018) Qiang Zhang et al.   CATALYSIS TODAY

Tuning nitrogen reduction reaction activity via controllable Fe magnetic moment: A computational study of single Fe atom supported on defective graphene

(2018) Xiangyu Guo et al.   ELECTROCHIMICA ACTA

Efficient Selective Electroreduction of CO2 by Single Atom Catalyst TM-Pc Monolayers

(2018) Jinhang Liu et al.   ACS Sustainable Chemistry & Engineering

Tuning Sn-Catalysis for Electrochemical Reduction of CO2 to CO via the Core/Shell Cu/SnO2 Structure

(2017) Qing Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electrochemical Activation of CO2 through Atomic Ordering Transformations of AuCu Nanoparticles

(2017) Dohyung Kim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Transition-Metal Single Atoms in a Graphene Shell as Active Centers for Highly Efficient Artificial Photosynthesis

(2017) Kun Jiang et al.   Chem

Controllable Hydrocarbon Formation from the Electrochemical Reduction of CO2 over Cu Nanowire Arrays

(2016) Ming Ma et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Enhanced electrocatalytic CO2 reduction via field-induced reagent concentration

(2016) Min Liu et al.   NATURE

Metal-Doped Nitrogenated Carbon as an Efficient Catalyst for Direct CO2Electroreduction to CO and Hydrocarbons

(2015) Ana Sofia Varela et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

CO2 Electroreduction Performance of Transition Metal Dimers Supported on Graphene: A Theoretical Study

(2015) Yawei Li et al.   ACS Catalysis

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

(2014) Kiran Mathew et al.   JOURNAL OF CHEMICAL PHYSICS

Reaction Pathway for Oxygen Reduction on FeN4 Embedded Graphene

(2014) Shyam Kattel et al.   Journal of Physical Chemistry Letters

Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis

(2013) Xiao-Feng Yang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Theoretical Considerations on the Electroreduction of CO to C2Species on Cu(100) Electrodes

(2013) Federico Calle-Vallejo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Activity Descriptors for CO2 Electroreduction to Methane on Transition-Metal Catalysts

(2012) Andrew A. Peterson et al.   Journal of Physical Chemistry Letters

CO2 Reduction at Low Overpotential on Cu Electrodes Resulting from the Reduction of Thick Cu2O Films

(2012) Christina W. Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Opportunities and challenges for a sustainable energy future

(2012) Steven Chu et al.   NATURE

Atomically Dispersed Supported Metal Catalysts

(2012) Maria Flytzani-Stephanopoulos et al.   Annual Review of Chemical and Biomolecular Engineering

Can a Single Atom Serve as the Active Site in Some Heterogeneous Catalysts?

(2011) John Meurig Thomas et al.   TOPICS IN CATALYSIS

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

(2010) Andrew A. Peterson et al.   Energy & Environmental Science

Band structure engineering of graphene by strain: First-principles calculations

(2008) Gui Gui et al.   PHYSICAL REVIEW B