Design of Atomic Ordering in Mo2Nb2C3Tx MXenes for Hydrogen Evolution Electrocatalysis

Wyatt, Brian C.; Thakur, Anupma; Nykiel, Kat; Hood, Zachary D.; Adhikari, Shiba P.; Pulley, Krista K.; Highland, Wyatt J.; Strachan, Alejandro; Anasori, Babak

doi:10.1021/acs.nanolett.2c04287

Design of Atomic Ordering in Mo₂Nb₂C₃T_x MXenes for Hydrogen Evolution Electrocatalysis

Journal Article · Thu Jan 26 00:00:00 EST 2023 · Nano Letters

DOI:https://doi.org/10.1021/acs.nanolett.2c04287· OSTI ID:2007756

^[1]; Thakur, Anupma ^[1]; Nykiel, Kat ^[2]; ^[3]; Adhikari, Shiba P. ^[3]; Pulley, Krista K. ^[1]; Highland, Wyatt J. ^[1]; Strachan, Alejandro ^[2]; ^[4]

Indiana Univ.-Purdue Univ. Indianapolis (IUPUI), Indianapolis, IN (United States)
Purdue Univ., West Lafayette, IN (United States)
Argonne National Laboratory (ANL), Argonne, IL (United States)
Indiana Univ.-Purdue Univ. Indianapolis (IUPUI), Indianapolis, IN (United States); Purdue Univ., West Lafayette, IN (United States)

The need for novel materials for energy storage and generation calls for chemical control at the atomic scale in nanomaterials. Ordered double-transition-metal MXenes expanded the chemical diversity of the family of atomically layered 2D materials since their discovery in 2015. However, atomistic tunability of ordered MXenes to achieve ideal composition-property relationships has not been yet possible. In this study, we demonstrate the synthesis of Mo_2+αNb_2-αAlC₃ MAX phases (0 ≤ α ≤ 0.3) and confirm the preferential ordering behavior of Mo and Nb in the outer and inner M layers, respectively, using density functional theory, Rietveld refinement, and electron microscopy methods. We also synthesize their 2D derivative Mo_2+αNb_2-αC₃T_x MXenes and exemplify the effect of preferential ordering on their hydrogen evolution reaction electrocatalytic behavior. In conclusion, this study seeks to inspire further exploration of the ordered double-transition-metal MXene family and contribute composition-behavior tools toward application-driven design of 2D materials.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 2007756

Journal Information:: Nano Letters, Journal Name: Nano Letters Journal Issue: 3 Vol. 23; ISSN 1530-6984

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Design of Atomic Ordering in Mo2Nb2C3Tx MXenes for Hydrogen Evolution Electrocatalysis

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Design of Atomic Ordering in Mo₂Nb₂C₃T_x MXenes for Hydrogen Evolution Electrocatalysis