@article{670be219a763485fa2a3a3d7692e9a31,
title = "The Predominance of Hydrogen Evolution on Transition Metal Sulfides and Phosphides under CO2 Reduction Conditions: An Experimental and Theoretical Study",
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.",
author = "Landers, {Alan T.} and Meredith Fields and Torelli, {Daniel A.} and Jianping Xiao and Hellstern, {Thomas R.} and Francis, {Sonja A.} and Charlie Tsai and Jakob Kibsgaard and Lewis, {Nathan S.} and Karen Chan and Christopher Hahn and Jaramillo, {Thomas F.}",
note = "Funding Information: This material is based, in part, on work performed by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy, under Award No. DE-SC0004993. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy (under Contract No. DE-AC02-05CH11231). Part of this work was performed at the Stanford Nano Shared Facilities (SNSF) and the Stanford Nanofabrication Facility (SNF), supported by the National Science Foundation under Award ECCS-1542152. Funding Information: This material is based, in part, on work performed by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy, under Award No. DE-SC0004993. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy (under Contract No. DE-AC02-05CH11231). Part of this work was performed at the Stanford Nano Shared Facilities (SNSF) and the Stanford Nano-fabrication Facility (SNF), supported by the National Science Foundation under Award ECCS-1542152. We also acknowledge assistance from the Stanford NMR Facility. M.F. and D.A.T. acknowledge a graduate fellowship through the National Science Foundation. S.A.F. acknowledges the Resnick Sustainability Institute at Caltech for a postdoctoral fellowship. The authors also thank J. Chance Crompton for assistance in synthesizing the nanoparticle electrocatalysts. Publisher Copyright: {\textcopyright} 2018 American Chemical Society.",
year = "2018",
month = jun,
day = "8",
doi = "10.1021/acsenergylett.8b00237",
language = "English (US)",
volume = "3",
pages = "1450--1457",
journal = "ACS Energy Letters",
issn = "2380-8195",
publisher = "American Chemical Society",
number = "6",
}