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Computationally Guided Design to Accelerate Discovery of Doped β-Mo 2 C Catalysts toward Hydrogen Evolution Reaction

Journal Article · · ACS Catalysis
 [1];  [1];  [2];  [3];  [1];  [1]
  1. Department of Materials Science and Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States
  2. Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States; Environmental TEM Catalysis Consortium (ECC), University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States
  3. Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States; Environmental TEM Catalysis Consortium (ECC), University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States; Department of Physics and Astronomy, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States

Not provided.

Research Organization:
Argonne National Lab. (ANL), Argonne, IL (United States). Center for Nanoscale Materials (CNM)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC02-06CH11357
OSTI ID:
1982012
Journal Information:
ACS Catalysis, Vol. 12, Issue 19; ISSN 2155-5435
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English

References (50)

Alternative energy technologies journal November 2001
Hydrogen Storage for Mobility: A Review journal June 2019
Industrial decarbonization via hydrogen: A critical and systematic review of developments, socio-technical systems and policy options journal October 2021
Highly Efficient, Biochar-Derived Molybdenum Carbide Hydrogen Evolution Electrocatalyst journal September 2018
Nitrogen-Doped Porous Molybdenum Carbide and Phosphide Hybrids on a Carbon Matrix as Highly Effective Electrocatalysts for the Hydrogen Evolution Reaction journal October 2017
Multiple Phases of Molybdenum Carbide as Electrocatalysts for the Hydrogen Evolution Reaction journal May 2014
Theory of phase stabilities and bonding mechanisms in stoichiometric and substoichiometric molybdenum carbide journal October 1999
Metastable Phase-Controlled Synthesis of Mesoporous Molybdenum Carbides for Efficient Alkaline Hydrogen Evolution journal June 2022
Unconventional molybdenum carbide phases with high electrocatalytic activity for hydrogen evolution reaction journal January 2019
Tuning the hydrogen evolution activity of β-Mo 2 C nanoparticles via control of their growth conditions journal January 2017
Porous molybdenum carbide nano-octahedrons synthesized via confined carburization in metal-organic frameworks for efficient hydrogen production journal March 2015
Highly active and durable nanostructured molybdenum carbide electrocatalysts for hydrogen production journal January 2013
Molybdenum Carbide Nanoparticles on Carbon Nanotubes and Carbon Xerogel: Low-Cost Cathodes for Hydrogen Production by Alkaline Water Electrolysis journal April 2016
Highly Active and Stable Hydrogen Evolution Electrocatalysts Based on Molybdenum Compounds on Carbon Nanotube–Graphene Hybrid Support journal April 2014
Coupled molybdenum carbide and reduced graphene oxide electrocatalysts for efficient hydrogen evolution journal April 2016
Engineering Low-Coordination Single-Atom Cobalt on Graphitic Carbon Nitride Catalyst for Hydrogen Evolution journal April 2022
Photonic Flash Synthesis of Mo2C/Graphene Electrocatalyst for the Hydrogen Evolution Reaction journal April 2021
Composites of graphene-Mo2C rods: highly active and stable electrocatalyst for hydrogen evolution reaction journal March 2016
Molybdenum Carbide-Embedded Nitrogen-Doped Porous Carbon Nanosheets as Electrocatalysts for Water Splitting in Alkaline Media journal March 2017
An Ingenious Strategy to Integrate Multiple Electrocatalytically Active Components within a Well-Aligned Nitrogen-Doped Carbon Nanotube Array Electrode for Electrocatalysis journal March 2021
Synergistically Coupling Phosphorus-Doped Molybdenum Carbide with MXene as a Highly Efficient and Stable Electrocatalyst for Hydrogen Evolution Reaction journal August 2020
Pomegranate-like N,P-Doped Mo 2 C@C Nanospheres as Highly Active Electrocatalysts for Alkaline Hydrogen Evolution journal September 2016
Ultrathin N-Doped Mo 2 C Nanosheets with Exposed Active Sites as Efficient Electrocatalyst for Hydrogen Evolution Reactions journal October 2016
Boron- and Nitrogen-Codoped Molybdenum Carbide Nanoparticles Imbedded in a BCN Network as a Bifunctional Electrocatalyst for Hydrogen and Oxygen Evolution Reactions journal August 2018
Hydrophilic Nitrogen and Sulfur Co-doped Molybdenum Carbide Nanosheets for Electrochemical Hydrogen Evolution journal November 2015
Sulfur-Decorated Molybdenum Carbide Catalysts for Enhanced Hydrogen Evolution journal October 2015
Supported Heterostructured MoC/Mo 2 C Nanoribbons and Nanoflowers as Highly Active Electrocatalysts for Hydrogen Evolution Reaction journal March 2019
Integration of Ni Doping and a Mo2C/MoC Heterojunction for Hydrogen Evolution in Acidic and Alkaline Conditions journal May 2021
Heteronanowires of MoC–Mo 2 C as efficient electrocatalysts for hydrogen evolution reaction journal January 2016
A durable and pH-universal self-standing MoC–Mo2C heterojunction electrode for efficient hydrogen evolution reaction journal November 2021
Dual-phase MoC-Mo2C nanosheets prepared by molten salt electrochemical conversion of CO2 as excellent electrocatalysts for the hydrogen evolution reaction journal December 2021
Synthesis of Mo2C/MoC/C nanocomposite for hydrogen evolution reaction journal January 2022
Epitaxial Synthesis of Molybdenum Carbide and Formation of a Mo 2 C/MoS 2 Hybrid Structure via Chemical Conversion of Molybdenum Disulfide journal January 2018
Structure design of MoS2@Mo2C on nitrogen-doped carbon for enhanced alkaline hydrogen evolution reaction journal September 2020
Vertically Aligned MoS 2 /Mo 2 C hybrid Nanosheets Grown on Carbon Paper for Efficient Electrocatalytic Hydrogen Evolution journal September 2017
MoS 2 nanosheet/Mo 2 C-embedded N-doped carbon nanotubes: synthesis and electrocatalytic hydrogen evolution performance journal January 2014
Graphene Activation Explains the Enhanced Hydrogen Evolution on Graphene-Coated Molybdenum Carbide Electrocatalysts journal March 2020
Iron-Doped Molybdenum Carbide Catalyst with High Activity and Stability for the Hydrogen Evolution Reaction journal June 2015
Electrocatalytic performance of ultrasmall Mo2C affected by different transition metal dopants in hydrogen evolution reaction journal January 2018
Influence of Transition Metal on the Hydrogen Evolution Reaction over Nano-Molybdenum-Carbide Catalyst journal July 2018
Reconciling the Volcano Trend with the Butler–Volmer Model for the Hydrogen Evolution Reaction journal June 2022
Revisiting trends in the exchange current for hydrogen evolution journal January 2021
Trends in the Exchange Current for Hydrogen Evolution journal January 2005
Theoretical Advances in Understanding and Designing the Active Sites for Hydrogen Evolution Reaction journal June 2022
Adsorption of CO, H2, H2O, and CO2 on Fe-, Co-, Ni-, Cu-, Pd-, and Pt-Doped Mo2C(101) Surfaces journal May 2021
Stability of β-Mo 2 C Facets from ab Initio Atomistic Thermodynamics journal October 2011
Morphology and surface chemistry engineering toward pH-universal catalysts for hydrogen evolution at high current density journal January 2019
Molybdenum Carbide-Reduced Graphene Oxide Composites as Electrocatalysts for Hydrogen Evolution journal March 2022
Structure and stability of β-Mo2C bulk and surfaces: A density functional theory study journal March 2009
Circular Hough transform diffraction analysis: A software tool for automated measurement of selected area electron diffraction patterns within Digital Micrograph™ journal March 2008