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H2S adsorption process on (0001) alpha-quartz SiO2 surfaces

Title
H2S adsorption process on (0001) alpha-quartz SiO2 surfaces
Author
전형탁
Keywords
ATOMIC LAYER DEPOSITION; HYDROGEN-SULFIDE; MECHANISM; MOS2; CARBON
Issue Date
2018-09
Publisher
AMER INST PHYSICS
Citation
JOURNAL OF APPLIED PHYSICS, v. 124, no. 11, Article no. 115301
Abstract
We theoretically study the H2S adsorption process on (0001) alpha-quartz SiO2 surfaces, which is the preconditioning process for the atomic layer deposition growth of metal sulfide materials. The surface structures of dense and fully hydroxylated (0001) alpha-quartz SiO2 are energetically stable, but their reaction with a H2S molecule is not so active, whereas the cleaved SiO2 surface is chemically reactive to the dissociative adsorption of a H2S molecule with an adsorption energy of -3.08 eV/molecule. On the cleaved surface, we confirm that adsorbed H2S is dissociated into H and H-S fragments, and the energy barrier in this reaction process is computed as 0.042 eV.
URI
https://aip.scitation.org/doi/10.1063/1.5037500http://repository.hanyang.ac.kr/handle/20.500.11754/119985
ISSN
0021-8979; 1089-7550
DOI
10.1063/1.5037500
Appears in Collections:
COLLEGE OF ENGINEERING[S](공과대학) > MATERIALS SCIENCE AND ENGINEERING(신소재공학부) > Articles
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