Ability of a hydrogen atom to be adsorbed on the 2D silicon carbide
Số trang: 8
Loại file: pdf
Dung lượng: 1.10 MB
Lượt xem: 15
Lượt tải: 0
Xem trước 1 trang đầu tiên của tài liệu này:
Thông tin tài liệu:
Hydrogen bonding on two-dimensional silicon carbide (2D SiC) was studied using molecular dynamics and ab initio calculations. By investigating a converged density functional theory (DFT) calculation, the stable bonding sites of a hydrogen atom on the 2D SiC were found at the top sites (TSi and TC, of which TSi is a more stable adsorption site).
Nội dung trích xuất từ tài liệu:
Ability of a hydrogen atom to be adsorbed on the 2D silicon carbide
Nội dung trích xuất từ tài liệu:
Ability of a hydrogen atom to be adsorbed on the 2D silicon carbide
Tìm kiếm theo từ khóa liên quan:
Density functional theory calculation Two-dimensional Silicon carbide Hydrogen adsorption SiC lattice Hydrogen bondingGợi ý tài liệu liên quan:
-
14 trang 12 0 0
-
Strong two-scale convergence for a two-dimensional case
5 trang 11 0 0 -
Influence of acid activation on hydrogen adsorption properties of analcime-rich tuff from Turkey
12 trang 10 0 0 -
Ebook Organic chemistry in confining media
196 trang 10 0 0 -
Acetylene-bridged triazine π-conjugated structures: Synthesis and liquid crystalline properties
9 trang 9 0 0 -
Vibrational study of the hydrogen adsorption on the missing row platinum (110) surface
8 trang 4 0 0 -
Material removal rate and electrode wear study on the EDM of silicon carbide
8 trang 4 0 0