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Design of Atomic Ordering in Mo<sub>2</sub>Nb<sub>2</sub>C<sub>3</sub>T<sub><i>x</i></sub> MXenes for Hydrogen Evolution Electrocatalysis

Brian C. WyattDepartment of Mechanical & Energy Engineering and Integrated Nanosystems Development Institute, Purdue School of Engineering & Technology, Indiana University − Purdue University Indianapolis, Indianapolis, Indiana 46202, United StatesAnupma ThakurDepartment of Mechanical & Energy Engineering and Integrated Nanosystems Development Institute, Purdue School of Engineering & Technology, Indiana University − Purdue University Indianapolis, Indianapolis, Indiana 46202, United StatesKat NykielSchool of Materials Engineering and Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907, United StatesZachary D. HoodApplied Materials Division, Argonne National Laboratory, Lemont, Illinois 60439, United StatesShiba P. AdhikariApplied Materials Division, Argonne National Laboratory, Lemont, Illinois 60439, United StatesKrista K. PulleyDepartment of Mechanical & Energy Engineering and Integrated Nanosystems Development Institute, Purdue School of Engineering & Technology, Indiana University − Purdue University Indianapolis, Indianapolis, Indiana 46202, United StatesWyatt J. HighlandDepartment of Mechanical & Energy Engineering and Integrated Nanosystems Development Institute, Purdue School of Engineering & Technology, Indiana University − Purdue University Indianapolis, Indianapolis, Indiana 46202, United StatesAlejandro StrachanSchool of Materials Engineering and Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907, United StatesBabak AnasoriDepartment of Mechanical & Energy Engineering and Integrated Nanosystems Development Institute, Purdue School of Engineering & Technology, Indiana University − Purdue University Indianapolis, Indianapolis, Indiana 46202, United States
2023en
ABI

Аннотация

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 Mo2+αNb2−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 Mo2+αNb2−αC3Tx MXenes and exemplify the effect of preferential ordering on their hydrogen evolution reaction electrocatalytic behavior. 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.

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DOI
10.1021/acs.nanolett.2c04287

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