The Predominance of Hydrogen Evolution on Transition Metal Sulfides and Phosphides under CO₂ Reduction Conditions: An Experimental and Theoretical Study

Alan T. Landers; Meredith Fields; Daniel A. Torelli; Jianping Xiao; Thomas R. Hellstern; Sonja A. Francis; Charlie Tsai; Jakob Kibsgaard; Nathan S. Lewis; Karen Chan; Christopher Hahn; Thomas F. Jaramillo

doi:10.1021/acsenergylett.8b00237

journal article·2018-06-08Open access

The Predominance of Hydrogen Evolution on Transition Metal Sulfides and Phosphides under CO₂ Reduction Conditions: An Experimental and Theoretical Study

Alan T. Landers, Meredith Fields, Daniel A. Torelli, Jianping Xiao, Thomas R. Hellstern, Sonja A. Francis, Charlie Tsai, Jakob Kibsgaard, Nathan S. Lewis, Karen Chan, Christopher Hahn, Thomas F. Jaramillo

ACS Energy Letters· Volume 3· Issue 6

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Source abstract

Abstract

A combination of experiment and theory has been used to understand the relationship between the hydrogen evolution reaction (HER) and CO2 reduction (CO2R) on transition metal phosphide and transition metal sulfide catalysts. Although multifunctional active sites in these materials could potentially improve their CO2R activity relative to pure transition metal electrocatalysts, under aqueous testing conditions, these materials showed a high selectivity for the HER relative to CO2R. Computational results supported these findings, indicating that a limitation of the metal phosphide catalysts is that the HER is favored thermodynamically over CO2R. On Ni-MoS2, a limitation is the kinetic barrier for the proton–electron transfer to *CO. These theoretical and experimental results demonstrate that selective CO2R requires electrocatalysts that possess both favorable thermodynamic pathways and surmountable kinetic barriers.

Source: openalex_inverted_index · Quality: baseline

Research context

Catalysis & surfaces

OpenAlex topics: CO2 Reduction Techniques and Catalysts · Electrocatalysts for Energy Conversion · Advanced Thermoelectric Materials and Devices

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Chemistry, Stanford University, Stanford, California 94305, United States

SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States

Department of Chemical Engineering, Stanford University, Stanford, California 94305, United States

Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States

Department of Physics, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark

Funding

Basic Energy Sciences · Division of Graduate Education · Resnick Sustainability Institute for Science, Energy and Sustainability, California Institute of Technology

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