Revealing the Origin of Nitrogen Electroreduction Activity of Molybdenum Disulfide Supported Iron Atoms

Revealing the Importance of Kinetics in N-Coordinated Dual-Metal Sites Catalyzed Oxygen Reduction Reaction

(2021) Feiteng Wang et al.   JOURNAL OF CATALYSIS

Hydroxyl-Boosted Nitrogen Reduction Reaction: The Essential Role of Surface Hydrogen in Functionalized MXenes

(2021) Xingshuai Lv et al.   ACS Applied Materials & Interfaces

Mechanism and Active Species in NH3 Dehydrogenation under an Electrochemical Environment: An Ab Initio Molecular Dynamics Study

(2021) Kunran Yang et al.   ACS Catalysis

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

Regulating Electronic Spin Moments of Single-Atom Catalyst Sites via Single-Atom Promoter Tuning on S-Vacancy MoS2 for Efficient Nitrogen Fixation

(2021) Qian Dang et al.   Journal of Physical Chemistry Letters

Origin of Selective Production of Hydrogen Peroxide by Electrochemical Oxygen Reduction

(2021) Xunhua Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Catalytic role of assembled Ce Lewis acid sites over ceria for electrocatalytic conversion of dinitrogen to ammonia

(2021) Jiamin Qi et al.   Journal of Energy Chemistry

Synergistic Multisites Fe2Mo6S8 Electrocatalysts for Ambient Nitrogen Conversion to Ammonia

(2021) Ke Lu et al.   ACS Nano

MoS2-Supported Fe2 Clusters Catalyzing Nitrogen Reduction Reaction to Produce Ammonia

(2020) Hongchao Zhang et al.   Journal of Physical Chemistry C

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

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

Electrochemical ammonia synthesis through N2 and H2O under ambient conditions: Theory, practices, and challenges for catalysts and electrolytes

(2020) Hui Xu et al.   Nano Energy

Accelerated Dinitrogen Electroreduction to Ammonia via Interfacial Polarization Triggered by Single-Atom Protrusions

(2020) Jie Li et al.   Chem

A Spectroscopic Study of Electrochemical Nitrogen and Nitrate Reduction on Rhodium Surfaces

(2020) Yao Yao et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Recent Advances and Challenges of Electrocatalytic N2 Reduction to Ammonia

(2020) Geletu Qing et al.   CHEMICAL REVIEWS

Identifying Iron–Nitrogen/Carbon Active Structures for Oxygen Reduction Reaction under the Effect of Electrode Potential

(2020) Kun Mao et al.   Journal of Physical Chemistry Letters

Rational Catalyst Design for N2 Reduction under Ambient Conditions: Strategies towards Enhanced Conversion Efficiency

(2020) Lei Shi et al.   ACS Catalysis

Single‐Atom Catalysts for Electrocatalytic Applications

(2020) Qiaoqiao Zhang et al.   ADVANCED FUNCTIONAL MATERIALS

Fe Single Atom on MoS2 Nanosheets for N2 Electroreduction into Ammonia

(2020) Hongyang Su et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Single-Atom Catalysts across the Periodic Table

(2020) Selina K. Kaiser et al.   CHEMICAL REVIEWS

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

(2020) Feiteng Wang et al.   Nano Energy

Design of a High-Performance Electrocatalyst for N2 Conversion to NH3 by Trapping Single Metal Atoms on Stepped CeO2

(2019) Jiamin Qi et al.   ACS Applied Materials & Interfaces

New Mechanism for N2 Reduction: The Essential Role of Surface Hydrogenation

(2019) Chongyi Ling et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Elucidating the Mechanism of Electrochemical N2 Reduction at the Ru(0001) Electrode

(2019) Ebrahim Tayyebi et al.   ACS Catalysis

High-throughput screening of transition metal single atom catalysts anchored on molybdenum disulfide for nitrogen fixation

(2019) Tong Yang et al.   Nano Energy

Electrochemical Ammonia Synthesis via Nitrogen Reduction Reaction on a MoS2 Catalyst: Theoretical and Experimental Studies

(2018) Ling Zhang et al.   ADVANCED MATERIALS

Substantial Impact of Charge on Electrochemical Reactions of Two-Dimensional Materials

(2018) Donghoon Kim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Explanation of Dramatic pH-Dependence of Hydrogen Binding on Noble Metal Electrode: Greatly Weakened Water Adsorption at High pH

(2018) Tao Cheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Spectroscopic Study on the Nitrogen Electrochemical Reduction Reaction on Gold and Platinum Surfaces

(2018) Yao Yao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Beyond fossil fuel–driven nitrogen transformations

(2018) Jingguang G. Chen et al.   SCIENCE

Heterogeneous Fe3 single-cluster catalyst for ammonia synthesis via an associative mechanism

(2018) Jin-Cheng Liu et al.   Nature Communications

Heterogeneous single-atom catalysis

(2018) Aiqin Wang et al.   Nature Reviews Chemistry

QM-Mechanism-Based Hierarchical High-Throughput in Silico Screening Catalyst Design for Ammonia Synthesis

(2018) Qi An et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electrocatalytic Reduction of Nitrogen: From Haber-Bosch to Ammonia Artificial Leaf

(2018) Antonio José Martín et al.   Chem

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

Reaction Mechanisms for the Electrochemical Reduction of CO2 to CO and Formate on the Cu(100) Surface at 298 K from Quantum Mechanics Free Energy Calculations with Explicit Water

(2016) Tao Cheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

On the mechanism of electrochemical ammonia synthesis on the Ru catalyst

(2016) Seoin Back et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electric Field Effects in Electrochemical CO2 Reduction

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

Electrochemical Barriers Made Simple

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

Free-Energy Barriers and Reaction Mechanisms for the Electrochemical Reduction of CO on the Cu(100) Surface, Including Multiple Layers of Explicit Solvent at pH 0

(2015) Tao Cheng et al.   Journal of Physical Chemistry Letters

Photochemical Nitrogen Conversion to Ammonia in Ambient Conditions with FeMoS-Chalcogels

(2015) Abhishek Banerjee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Characterization of an Fe≡N–NH2 Intermediate Relevant to Catalytic N2 Reduction to NH3

(2015) John S. Anderson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Challenges in reduction of dinitrogen by proton and electron transfer

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

Catalytic conversion of nitrogen to ammonia by an iron model complex

(2013) John S. Anderson et al.   NATURE

Oxygen reduction reaction mechanism on nitrogen-doped graphene: A density functional theory study

(2011) Liang Yu et al.   JOURNAL OF CATALYSIS

A theoretical evaluation of possible transition metal electro-catalysts for N2reduction

(2011) Egill Skúlason et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

The Evolution and Future of Earth’s Nitrogen Cycle

(2010) Donald E. Canfield et al.   SCIENCE

How a century of ammonia synthesis changed the world

(2008) Jan Willem Erisman et al.   Nature Geoscience