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Title: Design principles for hydrogen evolution reaction catalyst materials

Abstract

Design and synthesis of active, stable and cost-effective materials for efficient hydrogen production (hydrogen evolution reaction, HER) is of paramount importance for the successful deployment of hydrogen -based alternative energy technologies. The HER, seemingly one of the simplest electrochemical reactions, has served for decades to bridge the gap between fundamental electrocatalysis and practical catalyst design. However, there are still many open questions that need to be answered before it would be possible to claim that design principles of catalyst materials are fully developed for the efficient hydrogen production. Here in this review, by summarizing key results for the HER on well-characterized electrochemical interfaces in acidic and alkaline media, we have broadened our understanding of the HER in the whole range of pH by considering three main parameters: the nature of the proton donor (H3O+ in acid and H2O in alkaline), the energy of adsorption of Had and OHad, and the presence of spectator species. Simply by considering these three parameters we show that great deal has already been learned and new trends are beginning to emerge, giving some predictive ability with respect to the nature of electrochemical interface and electrocatalytic activity of the HER.

Authors:
 [1];  [1];  [1];  [1];  [1]
  1. Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division
Publication Date:
Research Org.:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1352610
Alternate Identifier(s):
OSTI ID: 1397359
Grant/Contract Number:  
AC02-06CH11357; AC02–06CH11357
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Nano Energy
Additional Journal Information:
Journal Volume: 29; Journal Issue: C; Journal ID: ISSN 2211-2855
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
08 HYDROGEN

Citation Formats

Strmcnik, Dusan, Lopes, Pietro Papa, Genorio, Bostjan, Stamenkovic, Vojislav R., and Markovic, Nenad M. Design principles for hydrogen evolution reaction catalyst materials. United States: N. p., 2016. Web. doi:10.1016/j.nanoen.2016.04.017.
Strmcnik, Dusan, Lopes, Pietro Papa, Genorio, Bostjan, Stamenkovic, Vojislav R., & Markovic, Nenad M. Design principles for hydrogen evolution reaction catalyst materials. United States. https://doi.org/10.1016/j.nanoen.2016.04.017
Strmcnik, Dusan, Lopes, Pietro Papa, Genorio, Bostjan, Stamenkovic, Vojislav R., and Markovic, Nenad M. 2016. "Design principles for hydrogen evolution reaction catalyst materials". United States. https://doi.org/10.1016/j.nanoen.2016.04.017. https://www.osti.gov/servlets/purl/1352610.
@article{osti_1352610,
title = {Design principles for hydrogen evolution reaction catalyst materials},
author = {Strmcnik, Dusan and Lopes, Pietro Papa and Genorio, Bostjan and Stamenkovic, Vojislav R. and Markovic, Nenad M.},
abstractNote = {Design and synthesis of active, stable and cost-effective materials for efficient hydrogen production (hydrogen evolution reaction, HER) is of paramount importance for the successful deployment of hydrogen -based alternative energy technologies. The HER, seemingly one of the simplest electrochemical reactions, has served for decades to bridge the gap between fundamental electrocatalysis and practical catalyst design. However, there are still many open questions that need to be answered before it would be possible to claim that design principles of catalyst materials are fully developed for the efficient hydrogen production. Here in this review, by summarizing key results for the HER on well-characterized electrochemical interfaces in acidic and alkaline media, we have broadened our understanding of the HER in the whole range of pH by considering three main parameters: the nature of the proton donor (H3O+ in acid and H2O in alkaline), the energy of adsorption of Had and OHad, and the presence of spectator species. Simply by considering these three parameters we show that great deal has already been learned and new trends are beginning to emerge, giving some predictive ability with respect to the nature of electrochemical interface and electrocatalytic activity of the HER.},
doi = {10.1016/j.nanoen.2016.04.017},
url = {https://www.osti.gov/biblio/1352610}, journal = {Nano Energy},
issn = {2211-2855},
number = C,
volume = 29,
place = {United States},
year = {Tue Apr 19 00:00:00 EDT 2016},
month = {Tue Apr 19 00:00:00 EDT 2016}
}

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Works referenced in this record:

Hydrogen Overvoltage and Electrode Material. A Theoretical Analysis
journal, January 1955


Work function, electronegativity, and electrochemical behaviour of metals
journal, September 1972


Efficiencies of electrolytic and thermochemical hydrogen production
journal, January 1975


Recent Development in Hydrogen Evolution Reaction Catalysts and Their Practical Implementation
journal, March 2015


Interfacing electrochemistry
journal, January 2013


Studies of the Hydrogen Evolution Reaction on Raney Nickel–Molybdenum Electrodes
journal, July 2004


Screening of electrocatalytic materials for hydrogen evolution
journal, January 2010


Mixed Close-Packed Cobalt Molybdenum Nitrides as Non-noble Metal Electrocatalysts for the Hydrogen Evolution Reaction
journal, December 2013


Highly active and durable nanostructured molybdenum carbide electrocatalysts for hydrogen production
journal, January 2013


The hydrogen evolution reaction on amorphous nickel and cobalt alloys
journal, June 1995


Hydrogen Oxidation and Evolution Reaction Kinetics on Carbon Supported Pt, Ir, Rh, and Pd Electrocatalysts in Acidic Media
journal, November 2014


Identification of Active Edge Sites for Electrochemical H2 Evolution from MoS2 Nanocatalysts
journal, July 2007


Molybdenum Phosphosulfide: An Active, Acid-Stable, Earth-Abundant Catalyst for the Hydrogen Evolution Reaction
journal, October 2014


Building an appropriate active-site motif into a hydrogen-evolution catalyst with thiomolybdate [Mo3S13]2− clusters
journal, January 2014


Designing an improved transition metal phosphide catalyst for hydrogen evolution using experimental and theoretical trends
journal, January 2015


Core–shell, hollow-structured iridium–nickel nitride nanoparticles for the hydrogen evolution reaction
journal, January 2014


Molybdenum sulfides—efficient and viable materials for electro - and photoelectrocatalytic hydrogen evolution
journal, January 2012


Nanoparticle Superlattices as Efficient Bifunctional Electrocatalysts for Water Splitting
journal, November 2015


Hydrogen evolution reaction on Ni-Al electrodes
journal, February 1993


Highly porous non-precious bimetallic electrocatalysts for efficient hydrogen evolution
journal, March 2015


Benchmarking Hydrogen Evolving Reaction and Oxygen Evolving Reaction Electrocatalysts for Solar Water Splitting Devices
journal, March 2015


Trends in the Hydrogen Evolution Activity of Metal Carbide Catalysts
journal, March 2014


Effect of the Transition Metal on Metal–Nitrogen–Carbon Catalysts for the Hydrogen Evolution Reaction
journal, January 2015


Hydrogen electrocatalysis on overlayers of rhodium over gold and palladium substrates—more active than platinum?
journal, January 2011


Design of active and stable Co–Mo–Sx chalcogels as pH-universal catalysts for the hydrogen evolution reaction
journal, November 2015


Minimizing the Use of Platinum in Hydrogen-Evolving Electrodes
journal, January 2011


Onsite Substitution Synthesis of Ultrathin Ni Nanofilms Loading Ultrafine Pt Nanoparticles for Hydrogen Evolution
journal, November 2015


High-Efficiency Electrochemical Hydrogen Evolution Catalyzed by Tungsten Phosphide Submicroparticles
journal, November 2014


Porous Cobalt-Based Thin Film as a Bifunctional Catalyst for Hydrogen Generation and Oxygen Generation
journal, April 2015


Interfacial processes involving electrocatalytic evolution and oxidation of H2, and the role of chemisorbed H
journal, August 2002


Computational high-throughput screening of electrocatalytic materials for hydrogen evolution
journal, October 2006


Enhancing Hydrogen Evolution Activity in Water Splitting by Tailoring Li+-Ni(OH)2-Pt Interfaces
journal, December 2011


New insights into the electrochemical hydrogen oxidation and evolution reaction mechanism
journal, January 2014


Unique Activity of Platinum Adislands in the CO Electrooxidation Reaction
journal, November 2008


Improving the hydrogen oxidation reaction rate by promotion of hydroxyl adsorption
journal, February 2013


Hydrogen evolution on silver single crystal electrodes—first results
journal, January 1999


Model for the electrocatalysis of hydrogen evolution
journal, June 2009


Hydrogen Evolution on Single-Crystal Copper and Silver: A Theoretical Study
journal, May 2010


Volcano plots in hydrogen electrocatalysis – uses and abuses
journal, January 2014


Towards the computational design of solid catalysts
journal, April 2009


Density functional theory study of adsorption of H 2 O, H, O, and OH on stepped platinum surfaces
journal, April 2014


The Brønsted–Evans–Polanyi relation and the volcano curve in heterogeneous catalysis
journal, May 2004


Electrocatalytic activity prediction for hydrogen electrode reaction: intuition, art, science
journal, August 1994


Near-surface ion distribution and buffer effects during electrochemical reactions
journal, January 2011


Centre of Gravity Movement in the Standing Human Body
journal, July 1967


Effect of the dissociation of water on electrochemical studies involving hydrogen ions
journal, January 1966


On the pH dependence of electrochemical proton transfer barriers
journal, March 2016


Temperature-Dependent Hydrogen Electrochemistry on Platinum Low-Index Single-Crystal Surfaces in Acid Solutions
journal, July 1997


Surface science studies of model fuel cell electrocatalysts
journal, April 2002


Hydrogen electrochemistry on platinum low-index single-crystal surfaces in alkaline solution
journal, January 1996


Co-adsorption of O and H2O on Nanostructured Platinum Surfaces: Does OH Form at Steps?
journal, July 2010


Identification of surface hydronium: Coadsorption of hydrogen fluoride and water on platinum (111)
journal, March 1987


The interaction of water with solid surfaces: fundamental aspects revisited
journal, May 2002


Bond-Making and Breaking between Carbon, Nitrogen, and Oxygen in Electrocatalysis
journal, October 2014


Water dissociation on well-defined platinum surfaces: The electrochemical perspective
journal, March 2013


Structure sensitivity and nanoscale effects in electrocatalysis
journal, January 2011


Introducing structural sensitivity into adsorption–energy scaling relations by means of coordination numbers
journal, April 2015


Trends in activity for the water electrolyser reactions on 3d M(Ni,Co,Fe,Mn) hydr(oxy)oxide catalysts
journal, May 2012


Electrocatalysis and pH (a review)
journal, July 2013


The role of non-covalent interactions in electrocatalytic fuel-cell reactions on platinum
journal, August 2009


Surface spectators and their role in relationships between activity and selectivity of the oxygen reduction reaction in acid environments
journal, November 2015


Trends in electrocatalysis on extended and nanoscale Pt-bimetallic alloy surfaces
journal, February 2007


Surface (electro-)chemistry on Pt(111) modified by a Pseudomorphic Pd monolayer
journal, December 2004


Oxygen Reduction Reaction on Pt and Pt Bimetallic Surfaces: A Selective Review
journal, July 2001


Improved Oxygen Reduction Activity on Pt3Ni(111) via Increased Surface Site Availability
journal, January 2007


Enhancing the Alkaline Hydrogen Evolution Reaction Activity through the Bifunctionality of Ni(OH) 2 /Metal Catalysts
journal, November 2012


Works referencing / citing this record:

Electrospun CNF Supported Ceramics as Electrochemical Catalysts for Water Splitting and Fuel Cell: A Review
journal, January 2020


Ru x Se@MoS 2 hybrid as a highly efficient electrocatalyst toward hydrogen evolution reaction
journal, January 2019


Electrochemical Fabrication of Porous Au Film on Ni Foam for Nitrogen Reduction to Ammonia
journal, January 2019


Benchmarking the Activity, Stability, and Inherent Electrochemistry of Amorphous Molybdenum Sulfide for Hydrogen Production
journal, January 2019


Multi-site electrocatalysts for hydrogen evolution in neutral media by destabilization of water molecules
journal, December 2018


Ultrathin carbon coated CoO nanosheet arrays as efficient electrocatalysts for the hydrogen evolution reaction
journal, January 2019


Chemical induced fragmentation of MOFs for highly efficient Ni-based hydrogen evolution catalysts
journal, January 2018


Multifunctional Transition Metal‐Based Phosphides in Energy‐Related Electrocatalysis
journal, September 2019


Electrocatalysts for Hydrogen Evolution in Alkaline Electrolytes: Mechanisms, Challenges, and Prospective Solutions
journal, November 2017


Synergistic effect of nano-Pt and Ni spine for HER in alkaline solution: hydrogen spillover from nano-Pt to Ni spine
journal, February 2018


Pt-like hydrogen evolution on a V 2 O 5 /Ni(OH) 2 electrocatalyst
journal, January 2019


Ruthenium atomically dispersed in carbon outperforms platinum toward hydrogen evolution in alkaline media
journal, February 2019


Tuning the catalytic activity of heterogeneous two-dimensional transition metal dichalcogenides for hydrogen evolution
journal, January 2018


FeO x /FeP hybrid nanorods neutral hydrogen evolution electrocatalysis: insight into interface
journal, January 2018


Synergistic Nanotubular Copper-Doped Nickel Catalysts for Hydrogen Evolution Reactions
journal, February 2018


Double layer charging driven carbon dioxide adsorption limits the rate of electrochemical carbon dioxide reduction on Gold
journal, January 2020


Electrocatalytic transformation of HF impurity to H2 and LiF in lithium-ion batteries
journal, April 2018


A Minireview on Nickel‐Based Heterogeneous Electrocatalysts for Water Splitting
journal, October 2019


A robust self-stabilized electrode based on Al-based metallic glasses for a highly efficient hydrogen evolution reaction
journal, January 2020


Theory-guided design of catalytic materials using scaling relationships and reactivity descriptors
journal, November 2019


Breaking the volcano-plot limits for Pt-based electrocatalysts by selective tuning adsorption of multiple intermediates
journal, January 2019


Mechanistic Insights into Light-Activated Catalysis for Water Oxidation: Mechanistic Insights into Light-Activated Catalysis for Water Oxidation
journal, January 2019


Promoting electrocatalytic CO2 reduction to formate via sulfur-boosting water activation on indium surfaces
journal, February 2019


Hydrogen evolution reaction (HER) on Au@Ag ultrananoclusters as electro-catalysts
journal, January 2018


IrW nanobranches as an advanced electrocatalyst for pH-universal overall water splitting
journal, January 2019


Metal organic framework (MOF) derived iron phosphide as a highly stable and efficient catalyst for hydrogen evolution
journal, January 2019


The Hydrogen Evolution Reaction in Alkaline Solution: From Theory, Single Crystal Models, to Practical Electrocatalysts
journal, May 2018


Ordered mesoporous WO 2.83 : selective reduction synthesis, exceptional localized surface plasmon resonance and enhanced hydrogen evolution reaction activity
journal, January 2018


Boosting the performance of Cu2O photocathodes for unassisted solar water splitting devices
journal, May 2018


A Co–Mo 2 N composite on a nitrogen-doped carbon matrix with hydrogen evolution activity comparable to that of Pt/C in alkaline media
journal, January 2019


State-of-the-Art Advances and Perspectives for Electrocatalysis
book, January 2020


Promoting Subordinate, Efficient Ruthenium Sites with Interstitial Silicon for Pt-Like Electrocatalytic Activity
journal, July 2019


Electrochemical Surface Science: Basics and Applications
journal, July 2019


Self-supported transition metal phosphide based electrodes as high-efficient water splitting cathodes
journal, September 2018


Effect of different carbon supports for Ni particles for the HER in tetra‐alkylammonium‐sulfonic acid media
journal, August 2019


Support and Interface Effects in Water‐Splitting Electrocatalysts
journal, December 2018


Balancing activity, stability and conductivity of nanoporous core-shell iridium/iridium oxide oxygen evolution catalysts
journal, November 2017


Ni-Assisted Low Temperature Synthesis of MoC x with Enhanced HER Activity
journal, November 2017


Energy and fuels from electrochemical interfaces
journal, December 2016


Mechanistic Insights into Light‐Activated Catalysis for Water Oxidation
journal, April 2019


Iridium–Tungsten Alloy Nanodendrites as pH-Universal Water-Splitting Electrocatalysts
journal, August 2018


Balancing activity, stability and conductivity of nanoporous core-shell iridium/iridium oxide oxygen evolution catalysts
journal, November 2017


Promoting electrocatalytic CO2 reduction to formate via sulfur-boosting water activation on indium surfaces
journal, February 2019


Synergistic effect of nano-Pt and Ni spine for HER in alkaline solution: hydrogen spillover from nano-Pt to Ni spine
journal, February 2018


Electrospun CNF Supported Ceramics as Electrochemical Catalysts for Water Splitting and Fuel Cell: A Review
journal, January 2020