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Updated: Apr 11, 2026
Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production
Published on: December 6, 2021
Hydroxylation of a metal-supported hexagonal boron nitride monolayer by oxygen induced water dissociation
1State Key Laboratory of Mechanics and Control of Mechanical Structures and MOE Key Laboratory for Intelligent Nano Materials and Devices, Institute of Nanoscience, Nanjing University of Aeronautics and Astronautics, Nanjing, 210016, China. yfguo@nuaa.edu.cn.
Abstract:
Hydroxylated hexagonal boron nitride (h-BN) nanosheets exhibit potential application in nanocomposites and functional surface coating. Our first-principles calculations reveal possible hydroxylation of a h-BN monolayer on a Ni substrate by surface O adatom induced spontaneous dissociation of water molecules. Here one H atom is split from a water molecule by bonding with the O adatom on the B atom and the resulting O-H radical then bonds with an adjacent B atom, which leads to two hydroxyl groups formed on h-BN/Ni. Hydroxylation slightly influences the electronic properties of a Ni-supported h-BN layer. Similar water dissociation and hydroxylation can occur on the surface of O functionalized h-BN/Cu depending on the O adsorption configuration. Metal substrates play an important catalytic role in enhancing the chemical reactivity of O adatoms on h-BN with water molecules through transferring additional charges to them.
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