Visualization of Transition Metal Decoration on h-BN Surface

• DOI: 10.1021/acs.nanolett.1c02198
• Publication Date: 2021-10-08T00:09:15Z
• Authors: Odongo Francis Ng...; Kyung-Yeon Doh; Hye Su Kang; Kyung Song; Yong-Tae Kim; Kwang Ho Kim; Donghwa Lee; Si-Young Choi
• Keywords: Nanoclusters

Functional h-BN (hexagonal boron nitride) has been prepared via the incorporation of transition metal (TM) impurities like nanoparticles and single atoms. Herein, scanning transmission electron microscopy (STEM) combined with density functional theory (DFT) was employed to study Ta-, Co-, Ni-, Ir-decorated monolayers provide an overview their preferential site occupancies morphological evolutions on h-BN. Ta, Ni, Ir, Co atoms are all positioned nitrogen h-BN; however DFT predicts occupancy can vary spin state. In terms microstructural evolution, Co, Ir form 3D nanoclusters while Ta well dispersed thus atom be decorated This highlights TM/h-BN interaction dynamics presents avenue for designing nanostructures electrocatalytic application.