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

Rational design of electrocatalysts and photo(electro)catalysts for nitrogen reduction to ammonia (NH3) under ambient conditions

(2018) Chunxian Guo et al.   Energy & Environmental Science

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

Nitrogen electroreduction and hydrogen evolution on cubic molybdenum carbide: a density functional study

(2018) Ivana Matanovic et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Efficient nitrogen fixation to ammonia on MXenes

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

Single transition metal atom embedded into a MoS2 nanosheet as a promising catalyst for electrochemical ammonia synthesis

(2018) Jia Zhao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electro-synthesis of ammonia from nitrogen at ambient temperature and pressure in ionic liquids

(2017) Fengling Zhou et al.   Energy & Environmental Science

Computational Study of MoN2 Monolayer as Electrochemical Catalysts for Nitrogen Reduction

(2017) Qinye Li et al.   Journal of Physical Chemistry C

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

Electrochemically Synthesized Nanoporous Molybdenum Carbide as a Durable Electrocatalyst for Hydrogen Evolution Reaction

(2017) Jin Soo Kang et al.   Advanced Science

Promising prospects for 2D d2–d4 M3C2 transition metal carbides (MXenes) in N2 capture and conversion into ammonia

(2016) Luis Miguel Azofra et al.   Energy & Environmental Science

An Fe-N2 Complex That Generates Hydrazine and Ammonia via Fe═NNH2: Demonstrating a Hybrid Distal-to-Alternating Pathway for N2 Reduction

(2016) Jonathan Rittle et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

All The Catalytic Active Sites of MoS2 for Hydrogen Evolution

(2016) Guoqing Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unique Domain Structure of Two-Dimensional α-Mo2C Superconducting Crystals

(2016) Zhibo Liu et al.   NANO LETTERS

Strain-Induced Isostructural and Magnetic Phase Transitions in Monolayer MoN2

(2016) Yao Wang et al.   NANO LETTERS

Why is a proton transformed into a hydride by [NiFe] hydrogenases? An intrinsic reactivity analysis based on conceptual DFT

(2016) Siyao Qiu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Unraveling the Role of Ligands in the Hydrogen Evolution Mechanism Catalyzed by [NiFe] Hydrogenases

(2016) Siyao Qiu et al.   ACS Catalysis

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

(2016) Qing Tang et al.   ACS Catalysis

2D MXenes: A New Family of Promising Catalysts for the Hydrogen Evolution Reaction

(2016) Guoping Gao 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

A New Molybdenum Nitride Catalyst with Rhombohedral MoS2 Structure for Hydrogenation Applications

(2015) Shanmin Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Large-area high-quality 2D ultrathin Mo2C superconducting crystals

(2015) Chuan Xu et al.   NATURE MATERIALS

Enabling electrochemical reduction of nitrogen to ammonia at ambient conditions through rational catalyst design

(2015) Younes Abghoui et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mechanism of Nitrogen Fixation by Nitrogenase: The Next Stage

(2014) Brian M. Hoffman et al.   CHEMICAL REVIEWS

Reaction mechanisms of CO2 electrochemical reduction on Cu(111) determined with density functional theory

(2014) Xiaowa Nie et al.   JOURNAL OF CATALYSIS

Nitrogenase: A Draft Mechanism

(2013) Brian M. Hoffman et al.   ACCOUNTS OF CHEMICAL RESEARCH

Defect-Rich MoS2Ultrathin Nanosheets with Additional Active Edge Sites for Enhanced Electrocatalytic Hydrogen Evolution

(2013) Junfeng Xie et al.   ADVANCED MATERIALS

Selectivity of CO2Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps

(2013) Xiaowa Nie et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Experimental and Theoretical Investigation of Molybdenum Carbide and Nitride as Catalysts for Ammonia Decomposition

(2013) Weiqing Zheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electrochemical ammonia production on molybdenum nitride nanoclusters

(2013) J. G. Howalt et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

DFT based study of transition metal nano-clusters for electrochemical NH3 production

(2013) J. G. Howalt et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

X-ray Emission Spectroscopy Evidences a Central Carbon in the Nitrogenase Iron-Molybdenum Cofactor

(2011) K. M. Lancaster et al.   SCIENCE

A General Database for Main Group Thermochemistry, Kinetics, and Noncovalent Interactions − Assessment of Common and Reparameterized (meta-)GGA Density Functionals

(2009) Lars Goerigk et al.   Journal of Chemical Theory and Computation