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. Wyatt, Anupma Thakur, Kat Nykiel, Zachary D. Hood, Shiba P. Adhikari, Krista K. Pulley, Wyatt J. Highland, Alejandro Strachan, Babak Anasori
Abstract
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+α Nb 2−α AlC 3 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+α Nb 2−α C 3 T x 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.