Modeling the Potential-Dependent Kinetics of CO2 Electroreduction on Single-Nickel Atom Catalysts with Explicit Solvation

Potential-Dependent Free Energy Relationship in Interpreting the Electrochemical Performance of CO2 Reduction on Single Atom Catalysts

(2022) Hao Cao et al.   ACS Catalysis

Understanding potential-dependent competition between electrocatalytic dinitrogen and proton reduction reactions

(2021) Changhyeok Choi et al.   Nature Communications

Unified mechanistic understanding of CO2 reduction to CO on transition metal and single atom catalysts

(2021) Sudarshan Vijay et al.   Nature Catalysis

Unveiling the Active Structure of Single Nickel Atom Catalysis: Critical Roles of Charge Capacity and Hydrogen Bonding

(2020) Xunhua Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Double layer charging driven carbon dioxide adsorption limits the rate of electrochemical carbon dioxide reduction on Gold

(2020) Stefan Ringe et al.   Nature Communications

Reaction mechanism and kinetics for CO2 reduction on nickel single atom catalysts from quantum mechanics

(2020) Md Delowar Hossain et al.   Nature Communications

Dipole-Field Interactions Determine the CO2 Reduction Activity of 2D Fe–N–C Single-Atom Catalysts

(2020) Sudarshan Vijay et al.   ACS Catalysis

Molecular origin of negative component of Helmholtz capacitance at electrified Pt(111)/water interface

(2020) Jia-Bo Le et al.   Science Advances

Stability and Redispersion of Ni Nanoparticles Supported on N-Doped Carbons for the CO2 Electrochemical Reduction

(2020) Paulina Prslja et al.   ACS Catalysis

Axial ligand effect on the stability of Fe–N–C electrocatalysts for acidic oxygen reduction reaction

(2020) Feiteng Wang et al.   Nano Energy

Insights into the adsorption/desorption of CO2 and CO on single-atom Fe-nitrogen-graphene catalyst under electrochemical environment

(2020) Jiejie Li et al.   Journal of Energy Chemistry

In situ probing electrified interfacial water structures at atomically flat surfaces

(2019) Chao-Yu Li et al.   NATURE MATERIALS

Designing materials for electrochemical carbon dioxide recycling

(2019) Michael B. Ross et al.   Nature Catalysis

Self-Adjusting Activity Induced by Intrinsic Reaction Intermediate in Fe–N–C Single-Atom Catalysts

(2019) Yu Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unified Approach to Implicit and Explicit Solvent Simulations of Electrochemical Reaction Energetics

(2019) Joseph A. Gauthier et al.   Journal of Chemical Theory and Computation

Facile Electron Transfer to CO2 during Adsorption at the Metal|Solution Interface

(2019) Joseph A. Gauthier et al.   Journal of Physical Chemistry C

Elucidating the Electrocatalytic CO2 Reduction Reaction over a Model Single-Atom Nickel Catalyst

(2019) Song Liu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Coordinatively unsaturated nickel–nitrogen sites towards selective and high-rate CO2 electroreduction

(2018) Chengcheng Yan et al.   Energy & Environmental Science

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

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

Understanding Surface-Mediated Electrochemical Reactions: CO2 Reduction and Beyond

(2018) Marco Dunwell et al.   ACS Catalysis

pH Effects on the Selectivity of the Electrocatalytic CO2 Reduction on Graphene-Embedded Fe–N–C Motifs: Bridging Concepts between Molecular Homogeneous and Solid-State Heterogeneous Catalysis

(2018) Ana Sofia Varela et al.   ACS Energy Letters

Atomically dispersed Ni(i) as the active site for electrochemical CO2 reduction

(2018) Hong Bin Yang et al.   Nature Energy

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

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 Central Role of Bicarbonate in the Electrochemical Reduction of Carbon Dioxide on Gold

(2017) Marco Dunwell et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Understanding activity and selectivity of metal-nitrogen-doped carbon catalysts for electrochemical reduction of CO2

(2017) Wen Ju et al.   Nature Communications

Insights into the Low Overpotential Electroreduction of CO2 to CO on a Supported Gold Catalyst in an Alkaline Flow Electrolyzer

(2017) Sumit Verma et al.   ACS Energy Letters

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

(2017) Kun Jiang et al.   Chem

Recent Advances in Inorganic Heterogeneous Electrocatalysts for Reduction of Carbon Dioxide

(2016) Dong Dong Zhu et al.   ADVANCED MATERIALS

Highly doped and exposed Cu(i)–N active sites within graphene towards efficient oxygen reduction for zinc–air batteries

(2016) Haihua Wu et al.   Energy & Environmental Science

Inhibited proton transfer enhances Au-catalyzed CO2-to-fuels selectivity

(2016) Anna Wuttig et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Nickel-Nitrogen-Modified Graphene: An Efficient Electrocatalyst for the Reduction of Carbon Dioxide to Carbon Monoxide

(2016) Panpan Su et al.   Small

Electric Field Effects in Electrochemical CO2 Reduction

(2016) Leanne D. Chen et al.   ACS Catalysis

Experimental Observation of Redox-Induced Fe–N Switching Behavior as a Determinant Role for Oxygen Reduction Activity

(2015) Qingying Jia et al.   ACS Nano

Nitrogen-Doped Carbon Nanotube Arrays for High-Efficiency Electrochemical Reduction of CO2: On the Understanding of Defects, Defect Density, and Selectivity

(2015) Pranav P. Sharma et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Electrochemical Barriers Made Simple

(2015) Karen Chan et al.   Journal of Physical Chemistry Letters

A review of catalysts for the electroreduction of carbon dioxide to produce low-carbon fuels

(2013) Jinli Qiao et al.   CHEMICAL SOCIETY REVIEWS

Catalysis for CO2 conversion: a key technology for rapid introduction of renewable energy in the value chain of chemical industries

(2013) Gabriele Centi et al.   Energy & Environmental Science

Graphene Materials for Electrochemical Capacitors

(2013) Ji Chen et al.   Journal of Physical Chemistry Letters

Understanding Trends in the Electrocatalytic Activity of Metals and Enzymes for CO2 Reduction to CO

(2013) Heine A. Hansen et al.   Journal of Physical Chemistry Letters

An oxygen reduction electrocatalyst based on carbon nanotube–graphene complexes

(2012) Yanguang Li et al.   Nature Nanotechnology

Single-atom catalysis of CO oxidation using Pt1/FeO x

(2011) Botao Qiao et al.   Nature Chemistry

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

Modeling the electrified solid–liquid interface

(2008) Jan Rossmeisl et al.   CHEMICAL PHYSICS LETTERS