DataVXACS Energy LettersPaper
journal article·2018-01-12Open access

Effect of Intercalated Metals on the Electrocatalytic Activity of 1T-MoS2 for the Hydrogen Evolution Reaction

Nuwan H. Attanayake, Akila C. Thenuwara, Abhirup Patra, Yaroslav V. Aulin, Thi M. Tran, Himanshu Chakraborty, Eric Borguet, Michael L. Klein, John P. Perdew, Daniel R. Strongin

ACS Energy Letters· Volume 3· Issue 1
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Source abstract

Abstract

We show that intercalation of cations (Na+, Ca2+, Ni2+, and Co2+) into the interlayer region of 1T-MoS2 is an effective strategy to lower the overpotential for the hydrogen evolution reaction (HER). In acidic media the onset potential for 1T-MoS2 with intercalated ions is lowered by ~60 mV relative to that for pristine 1T-MoS2 (onset of ~180 mV). Density functional theory (DFT) calculations show a lowering in the Gibbs free energy for H-adsorption (ΔGH) on these intercalated structures relative to intercalant-free 1T-MoS2. The DFT calculations suggest that Na+ intercalation results in a $ΔG_H$ close to zero. Consistent with calculation, experiments show that the intercalation of Na+ ions into the interlayer region of 1T-MoS2 results in the lowest overpotential for the HER.
Source: openalex_inverted_index · Quality: candidate unverified · Source record ↗

Research context

Catalysis & surfaces

OpenAlex topics: Electrocatalysts for Energy Conversion · Chalcogenide Semiconductor Thin Films · Fuel Cells and Related Materials

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

Affiliations

Department of Chemistry, Temple University, 1901 North 13th Street, Philadelphia, Pennsylvania 19122, United States

Center for Computational Design of Functional Layered Materials (CCDM), Temple University, 1925 North 12th Street, Philadelphia, Pennsylvania 19122, United States

Department of Physics, Temple University 1925 North 12th Street, Philadelphia, Pennsylvania 19122, United States

Institute for Computational Molecular Science, Temple University, 1925 North 12th Street, Philadelphia, Pennsylvania 19122, United States

Funding

Basic Energy Sciences · Division of Materials Research

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