Platinum-like HER onset in a GNR/MoS2 quantum dot heterostructure through curvature-dependent electron density reconfiguration

Aruna Narayanan Nair; Mohamed F Sanad; Venkata S N Chava; Sreeprasad T Sreenivasan

doi:10.1039/d2cc03801c

Platinum-like HER onset in a GNR/MoS₂ quantum dot heterostructure through curvature-dependent electron density reconfiguration

Chem Commun (Camb). 2022 Sep 15;58(74):10368-10371. doi: 10.1039/d2cc03801c.

Authors

Aruna Narayanan Nair¹, Mohamed F Sanad², Venkata S N Chava¹, Sreeprasad T Sreenivasan¹

Affiliations

¹ Department of Chemistry and Biochemistry, The University of Texas at El Paso, El Paso, Texas 79968, USA. sreenivasan@utep.edu.
² Department of Environmental Sciences and Engineering, The University of Texas at El Paso, El Paso, Texas 79968, USA.

PMID: 36017687
DOI: 10.1039/d2cc03801c

Abstract

Tailoring the curvature-directed lattice strain in GNRs along with optimal surface anchoring of molybdenum disulfide (MoS₂) quantum dots (QDs) can lead to a unique heterostructure with Pt-like HER activity (onset potential -60 mV). The curvature-induced electronic charge redistribution at the curved region in the graphene nanoribbons allows a facile GNR-MoS₂ interfacial charge transfer in the heterostructure, making the interfacial sulfur (S) more active towards the HER. The density functional theory (DFT) calculations confirmed electronically activated interfacial S-based catalytic centers in the curved GNR-based heterostructure leading to Pt-like HER activity.