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/10.1063/1.5037500https://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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