官方服务:
资源简介:
P and Al-Doped BNNS with HF Gas CIF files from CASTEP simulation
应用场景:
创建时间:
2026-03-09
相关数据集
Enhancement of Gas Sensing Performance of Cerium Oxide by Nickel Doping
Rare earth elements exhibit unique physical and chemical properties due to their special electronic structure and are widely employed in applications such as sensors. This paper investigated the impac
中国科学数据2026-04-14 更新200
InterPhon: Ab initio interface phonon calculations within a 3D electronic structure framework
This work provides the community with an easily executable open-source Python package designed to automize the evaluation of Interfacial Phonons (InterPhon). Its strategy of arbitrarily defining the i
NIAID Data Ecosystem120
Data of First-principles study of diffusion behaviors of Cs and I in Cr coating
The binding energies of Cs and I atoms to neighboring 1nn to 4nn vacancies in Cr matrix were obtained by first-principles method. The diffusion coeffcients of Cr, Cs and I in Cr matrix in the temperat
科学数据银行2024-03-20 更新100
RESPACK: An ab initio tool for derivation of effective low-energy model of material
RESPACK is a first-principles calculation software for evaluating the interaction parameters of materials and is able to calculate maximally localized Wannier functions, response functions based on th
NIAID Data Ecosystem120
Isoreticular Postsynthetic Modification of Robust Organocopper(I) Halide Hybrids for Enhanced Broad-Band Emission and Turn-On NH3 Sensing
Organometal halide hybrids are an emerging class of single-component white-light emitters originating from self-trapped excitons (STEs), showing many promising attributes such as intrinsic nature and
Figshare2022-05-02 更新100



