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Determination of the hydrogen adsorption sites for Mg and Zn formates

B2FIND2026-04-25 收录

储氢材料设计

化学吸附位点分析

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https://b2find.eudat.eu/dataset/c26641aa-d91f-5abe-ac30-a53e9a1767b7 数据链接链接失效反馈

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In the framework of the FIRENZE HYDROLAB research project(http://www.iccom.cnr.it/hydrolab/), a number of polymeric metal formates has been synthesized,with interesting...

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晶体结构解析

储氢材料设计

BaGaH5 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Ba–H bond distances ra

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Stable structures of exohedrally decorated C60-fullerenes

储氢材料设计

富勒烯修饰结构

A good hydrogen storage material should adsorb hydrogen in high concentrations and with optimal binding energies. Exohedrally metal decorated carbon fullerene structures were proposed as a promising m

DataCite Commons2026-03-12 更新50

Data Driven Discovery of MOFs for Hydrogen Gas Adsorption

材料计算筛选

储氢材料设计

This data is in accordance with the submitted article to The Journal of Chemical Theory and Computation. This article is entitled, “Data Driven Discovery of MOFs for Hydrogen Gas Adsorption” by Samren

NIAID Data Ecosystem30

Materials Data on Ce2Co17H3 by Materials Project

晶体结构表征

储氢材料设计

Ce2Co17H3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 3-coordinate geometry to

DataCite Commons2021-02-04 更新70

Theoretical investigation of mixed-metal metal-organic frameworks as H 2 adsorbents: insights from GCMC and DFT simulations

储氢材料设计

金属有机框架

Molecular hydrogen (H2) is a renewable energy carrier, however, its practical applications are limited due to the challenges of developing safe and efficient H2 storage devices. Metal Organic Framewor

DataCite Commons2025-01-21 更新40

Determination of the hydrogen adsorption sites for Mg and Zn formates

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