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5 results for “h-BN”

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zenodo36/100

h-BN in the making: The surface chemistry of borazine on Rh(111)

<p>Herein, we present the raw data and the evaluated files (including a corresponding data assignment) affiliated with the research article "h-BN in the making: The surface chemistry of borazine on Rh(111)", accepted for publication in The Journal of Chemical Physics.</p>

opencc-by-4.0Apr 2024View details →
zenodo36/100

OUTCAR dataset for machine learning potential about a h-BN growth on Pt(111) surface

<p>The growth of monolayer h-BN from boron and nitrogen atoms on Pt(111) is&nbsp;investigated using molecular dynamics combined with machine-learning&nbsp;potentials trained based on first-principles data. The MD simulation can be performed to investigate the h-BN growth on the Pt(111) surface. The training dataset and machine learning potential&nbsp;have&nbsp;been made by the active learning method&nbsp;[1].</p> <p>&nbsp;</p> <p>[1] L. Zhang, D.-Y. Lin, H. Wang, R. Car, E. Weinan, Active learning of uniformly accurate interatomic&nbsp;potentials for materials simulation, Physical Review Materials 3 (2019) 023804.</p>

opencc-by-4.0Oct 2022View details →
zenodo36/100

MD simulation video about a h-BN growth on Pt(111) surface

<p>Videos of a h-BN growth on a Pt(111) surface. This simulation is performed by a machine learning potential.&nbsp;The deposit ratio of B and N atoms is 1:3. The B and N atoms are deposited on the Pt(111) surface. Total MD time is 20 ns.&nbsp;(500B,1500N)-Pt(111).1300to1300K.0to3ns.mp4 file is the MD simulation trajectory during&nbsp;0 to 3 ns.&nbsp;(500B,1500N)-Pt(111).1300to900K.10to12ns.mp4 file is the MD simulation trajectory during 10 to 12&nbsp;ns.&nbsp;</p>

opencc-by-4.0Nov 2022View details →
dryad24/100

Data from: Fabrication and characterization of Ni-decorated h-BN powders with ChCl-EG ionic liquid as addition by electroless deposition

Electroless plating nickel particles on hexagonal boron nitride (h-BN) of ceramic powders are investigated in this paper. As comparison, the different additive concentration of choline chloride-ethylene glycol (ChCl-EG) ionic liquid (0g/L, 30g/L, 60g/L, 90g/L) is presented. The effects of ChCl-EG concentration are studied, including the surface morphologies, phase analysis of Ni-decorated h-BN powders, and the residual Ni2+ concentration is measured in electroless plating bath. It is demonstrated that the deposition phenomena of nickel particles on h-BN surface is changed with the addition of ChCl-EG. When the concentration of ChCl-EG is 30g/L, the Ni particles on h-BN surface are in dispersed and spheroid state with the average size of 10-1000nm. It can be found that 30g/L ChCl-EG is conducive to the arise of deposition phenomena, which is the formation of the single nickel particle on h-BN surface. Besides, more Ni particles are deposited on h-BN surface with the increase of plating nickel times, which is characterized with scanning electron microscope (SEM) and transmission electron microscope (TEM). Furthermore, the deposition phenomenon and growth mechanism are proposed without and with ChCl-EG as additive to further elaborate the formation of Ni particles on h-BN surface.

opencc-zeroDec 2017View details →
dryad24/100

Data from: Fabrication and characterization of Ni-decorated h-BN powders with ChCl-EG ionic liquid as addition by electroless deposition

Open the record for dataset details and reuse information.

publicMar 2018View details →

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