Coadsorption of NRR and HER Intermediates Determines the Performance of Ru-N4 toward Electrocatalytic N2 Reduction

High-Throughput Screening of Synergistic Transition Metal Dual-Atom Catalysts for Efficient Nitrogen Fixation

(2021) Xingshuai Lv et al.   NANO LETTERS

Identifying a New Pathway for Nitrogen Reduction Reaction on Fe-Doped MoS2 by the Coadsorption of Hydrogen and N2

(2021) Akash Jain et al.   Journal of Physical Chemistry C

Is lithium the key for nitrogen electroreduction?

(2021) Olivia Westhead et al.   SCIENCE

Nitrogen reduction to ammonia at high efficiency and rates based on a phosphonium proton shuttle

(2021) Bryan H. R. Suryanto et al.   SCIENCE

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

(2021) Changhyeok Choi et al.   Nature Communications

Role of Catalyst in Controlling N2 Reduction Selectivity: A Unified View of Nitrogenase and Solid Electrodes

(2021) Alexander Bagger et al.   ACS Catalysis

Molecular Crowding Effect in Aqueous Electrolytes to Suppress Hydrogen Reduction Reaction and Enhance Electrochemical Nitrogen Reduction

(2021) Ying Guo et al.   Advanced Energy Materials

Enhancing oxygen reduction electrocatalysis by tuning interfacial hydrogen bonds

(2021) Tao Wang et al.   Nature Catalysis

Methanol-Mediated Electrosynthesis of Ammonia

(2021) Yongwen Ren et al.   ACS Energy Letters

Grand canonical ensemble approach to electrochemical thermodynamics, kinetics, and model Hamiltonians

(2021) Marko M. Melander   Current Opinion in Electrochemistry

Realizing the atomic active center for hydrogen evolution electrocatalysts

(2020) Yongpeng Lei et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

Understanding the Electrocatalytic Interface for Ambient Ammonia Synthesis

(2020) Lin Hu et al.   ACS Energy Letters

Recent Advances and Challenges of Electrocatalytic N2 Reduction to Ammonia

(2020) Geletu Qing et al.   CHEMICAL REVIEWS

The electrochemical interface in first-principles calculations

(2020) Kathleen Schwarz et al.   SURFACE SCIENCE REPORTS

Identifying the Origin of Ti 3+ Activity toward Enhanced Electrocatalytic N 2 Reduction over TiO 2 Nanoparticles Modulated by Mixed‐Valent Copper

(2020) Tongwei Wu et al.   ADVANCED MATERIALS

Paradigm change in hydrogen electrocatalysis: The volcano's apex is located at weak bonding of the reaction intermediate

(2020) Kai S. Exner   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Structural evidence for a dynamic metallocofactor during N2 reduction by Mo-nitrogenase

(2020) Wonchull Kang et al.   SCIENCE

Towards molecular understanding of local chemical environment effects in electro- and photocatalytic CO2 reduction

(2020) Andreas Wagner et al.   Nature Catalysis

Are There Any Overlooked Catalysts for Electrochemical NH3 Synthesis—New Insights from Analysis of Thermochemical Data

(2020) Emil Dražević et al.   iScience

Single Mo1(Cr1) Atom on Nitrogen-Doped Graphene Enables Highly Selective Electroreduction of Nitrogen into Ammonia

(2019) Wanghui Zhao et al.   ACS Catalysis

Single-Boron Catalysts for Nitrogen Reduction Reaction

(2019) Chuangwei Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Building up a Picture of the Electrocatalytic Nitrogen Reduction Activity of Transition Metal Single Atom Catalysts

(2019) xin liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Single‐Atom Catalysts for the Electrocatalytic Reduction of Nitrogen to Ammonia under Ambient Conditions

(2019) Yuan Qiu et al.   Chemistry-An Asian Journal

Strategies Toward Selective Electrochemical Ammonia Synthesis

(2019) Aayush R. Singh et al.   ACS Catalysis

Nitrogen-coordinated single Fe sites for efficient electrocatalytic N2 fixation in neutral media

(2019) Fang Lü et al.   Nano Energy

Unraveling Mechanistic Reaction Pathways of the Electrochemical CO2 Reduction on Fe–N–C Single-Site Catalysts

(2019) Wen Ju et al.   ACS Energy Letters

Electrochemical Reduction of N2 into NH3 by Donor–Acceptor Couples of Ni and Au Nanoparticles with a 67.8% Faradaic Efficiency

(2019) Zhong-Hua Xue et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Greatly Improving Electrochemical N2 Reduction over TiO2 Nanoparticles by Iron Doping

(2019) Tongwei Wu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Synergy of a Metallic NiCo Dimer Anchored on a C2N–Graphene Matrix Promotes the Electrochemical CO2 Reduction Reaction

(2019) Qingliang Huang et al.   ACS Sustainable Chemistry & Engineering

The Difficulty of Proving Electrochemical Ammonia Synthesis

(2019) Jakob Kibsgaard et al.   ACS Energy Letters

A Challenge to the G ∼ 0 Interpretation of Hydrogen Evolution

(2019) Per Lindgren et al.   ACS Catalysis

Nitrogen fixation and reduction at boron

(2018) Marc-André Légaré et al.   SCIENCE

Beyond fossil fuel–driven nitrogen transformations

(2018) Jingguang G. Chen et al.   SCIENCE

Suppression of Hydrogen Evolution Reaction in Electrochemical N2 Reduction Using Single-Atom Catalysts: A Computational Guideline

(2018) Changhyeok Choi et al.   ACS Catalysis

A physical catalyst for the electrolysis of nitrogen to ammonia

(2018) Yang Song et al.   Science Advances

Achieving a Record-High Yield Rate of 120.9 μgNH3  mgcat.−1  h−1 for N2 Electrochemical Reduction over Ru Single-Atom Catalysts

(2018) Zhigang Geng et al.   ADVANCED MATERIALS

High-performance artificial nitrogen fixation at ambient conditions using a metal-free electrocatalyst

(2018) Weibin Qiu et al.   Nature Communications

Ammonia Synthesis Under Ambient Conditions: Selective Electroreduction of Dinitrogen to Ammonia on Black Phosphorus Nanosheets

(2018) Lili Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Grand-canonical approach to density functional theory of electrocatalytic systems: Thermodynamics of solid-liquid interfaces at constant ion and electrode potentials

(2018) Marko M. Melander et al.   JOURNAL OF CHEMICAL PHYSICS

Single Mo Atom Supported on Defective Boron Nitride Monolayer as an Efficient Electrocatalyst for Nitrogen Fixation: A Computational Study

(2017) Jingxiang Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Multiscale structural and electronic control of molybdenum disulfide foam for highly efficient hydrogen production

(2017) Jiao Deng et al.   Nature Communications

Mechanism of Hydrogen Evolution Reaction on 1T-MoS2 from First Principles

(2016) Qing Tang et al.   ACS Catalysis

The Challenge of Electrochemical Ammonia Synthesis: A New Perspective on the Role of Nitrogen Scaling Relations

(2015) Joseph H. Montoya et al.   ChemSusChem

Challenges in reduction of dinitrogen by proton and electron transfer

(2014) Cornelis J. M. van der Ham et al.   CHEMICAL SOCIETY REVIEWS

Assessing the reliability of calculated catalytic ammonia synthesis rates

(2014) A. J. Medford et al.   SCIENCE

Competition and Inhibition Effects during Coal Char Gasification in the Mixture of H2O and CO2

(2013) Rui Zhang et al.   ENERGY & FUELS