Insights into Hydrogen Evolution Reaction on 2D Transition Metal Dichalcogenides
收藏相关数据集
Supplementary information files for Ru nanoparticles supported on partially reduced TiO 2 as highly efficient catalyst for hydrogen evolution
Supplementary files for article Ru nanoparticles supported on partially reduced TiO 2 as highly efficient catalyst for hydrogen evolution. The development of low-cost yet highly efficient ca
DataCite Commons2024-02-07 更新360
Blue Phosphorene Dataset for Graph Neural Network Training
Four zip files include the blue phosphorene structures and their total energy evaluated by density functional theory or a Tersoff potential.
Figshare2023-04-07 更新30
Electronic structures of TNP-p-NMe2, TNP-o-iPr, and TNP-p-Me 2D materials
Simulation dataset including geometry relaxation and electronic structure simulations of TNP-p-NMe2, TNP-o-iPr, and TNP-p-Me 2D materials from FHI-Aims software.
Zenodo2025-04-08 更新10
Secondary Coordination Sphere Interactions within the Biomimetic Iron Azadithiolate Complexes Related to Fe-Only Hydrogenase: Dynamic Measure of Electron Density about the Fe Sites
A series of iron azadithiolate complexes possessing an intramolecular secondary coordination sphere interaction and an ability to reduce HOAc at the potential near the first electron-transfer process
NIAID Data Ecosystem50
Bridging Text Mining and Quantum Simulations for the Design of 2D Monochalcogenide Materials
The formulation of a structured framework dedicated to the systematic review of the literature, identification of potential compounds, theoretical quantum chemistry characterization, and assessment of
Figshare2025-10-10 更新10
