Synergizing Mo Single Atoms and Mo 2 C Nanoparticles on CNTs Synchronizes Selectivity and Activity of Electrocatalytic N 2 Reduction to Ammonia

Coordination structure dominated performance of single-atomic Pt catalyst for anti-Markovnikov hydroboration of alkenes

(2020) Qi Xu et al.   Science China-Materials

Over 56.55% Faradaic efficiency of ambient ammonia synthesis enabled by positively shifting the reaction potential

(2019) Mengfan Wang et al.   Nature Communications

Rational Design of Holey 2D Nonlayered Transition Metal Carbide/Nitride Heterostructure Nanosheets for Highly Efficient Water Oxidation

(2019) Zongkui Kou et al.   Advanced Energy Materials

Dramatically Enhanced Ambient Ammonia Electrosynthesis Performance by In-Operando Created Li-S Interactions on MoS2 Electrocatalyst

(2019) Yanyan Liu et al.   Advanced Energy Materials

Metal organic frameworks derived single atom catalysts for electrocatalytic energy conversion

(2019) Tingting Sun et al.   Nano Research

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

A rigorous electrochemical ammonia synthesis protocol with quantitative isotope measurements

(2019) Suzanne Z. Andersen et al.   NATURE

Copper Single Atoms Anchored in Porous Nitrogen-Doped Carbon as Efficient pH-Universal Catalysts for the Nitrogen Reduction Reaction

(2019) Wenjie Zang et al.   ACS Catalysis

Boosting nitrogen reduction reaction by bio-inspired FeMoS containing hybrid electrocatalyst over a wide pH range

(2019) Yaxiao Guo et al.   Nano Energy

Greatly Improving Electrochemical N2 Reduction over TiO2 Nanoparticles by Iron Doping

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

New insights into mechanisms on electrochemical N2 reduction reaction driven by efficient zero-valence Cu nanoparticles

(2019) Xiaoxi Guo et al.   JOURNAL OF POWER SOURCES

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

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

Boosting selective nitrogen reduction to ammonia on electron-deficient copper nanoparticles

(2019) Yun-Xiao Lin et al.   Nature Communications

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

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

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

(2018) Ling Zhang et al.   ADVANCED MATERIALS

Single Molybdenum Atom Anchored on N-Doped Carbon as a Promising Electrocatalyst for Nitrogen Reduction into Ammonia at Ambient Conditions

(2018) Chongyi Ling et al.   Journal of Physical Chemistry C

Efficient nitrogen fixation to ammonia on MXenes

(2018) Mengmeng Shao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nitrogen fixation and reduction at boron

(2018) Marc-André Légaré 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

High-Efficiency Electrosynthesis of Ammonia with High Selectivity under Ambient Conditions Enabled by VN Nanosheet Array

(2018) Rong Zhang et al.   ACS Sustainable Chemistry & Engineering

Enhancing the rate of electrochemical nitrogen reduction reaction for ammonia synthesis under ambient conditions using hollow gold nanocages

(2018) Mohammadreza Nazemi et al.   Nano Energy

Impact of H-termination on the nitrogen reduction reaction of molybdenum carbide as an electrochemical catalyst

(2018) Qinye Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Boosted Electrocatalytic N2 Reduction to NH3 by Defect-Rich MoS2 Nanoflower

(2018) Xianghong Li et al.   Advanced Energy Materials

Molybdenum Carbide Nanodots Enable Efficient Electrocatalytic Nitrogen Fixation under Ambient Conditions

(2018) Hui Cheng et al.   ADVANCED MATERIALS

Active Sites and Mechanism of Oxygen Reduction Reaction Electrocatalysis on Nitrogen-Doped Carbon Materials

(2018) Santosh K. Singh et al.   ADVANCED MATERIALS

Atomically Dispersed Molybdenum Catalysts for Efficient Ambient Nitrogen Fixation

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

The role of bridging ligands in dinitrogen reduction and functionalization by uranium multimetallic complexes

(2018) Marta Falcone et al.   Nature Chemistry

High-Performance N2-to-NH3 Conversion Electrocatalyzed by Mo2C Nanorod

(2018) Xiang Ren et al.   ACS Central Science

2D carbide nanomeshes and their assembling into 3D microflowers for efficient water splitting

(2018) Zongkui Kou et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

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

Ammonia Electrosynthesis with High Selectivity under Ambient Conditions via a Li+ Incorporation Strategy

(2017) Gao-Feng Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanisms of Mo2C(101)-Catalyzed Furfural Selective Hydrodeoxygenation to 2-Methylfuran from Computation

(2016) Yun Shi 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

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

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

Departures from the Adsorption Energy Scaling Relations for Metal Carbide Catalysts

(2014) Ronald Michalsky et al.   Journal of Physical Chemistry C

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

Gabedit-A graphical user interface for computational chemistry softwares

(2010) Abdul-Rahman Allouche   JOURNAL OF COMPUTATIONAL CHEMISTRY