Augmented Reality for Enhanced Visualization of MOF Adsorbents

被引：3

作者：

Glasby, Lawson T. ^{[1
]}

Oktavian, Rama ^{[1
]}

Zhu, Kewei ^{[2
]}

Cordiner, Joan L. ^{[1
]}

Cole, Jason C. ^{[3
]}

Moghadam, Peyman Z. ^{[2
]}

机构：

[1] Univ Sheffield, Dept Chem & Biol Engn, Sheffield S1 3JD, S Yorkshire, England

[2] UCL, Dept Chem Engn, London WC1E 7JE, England

[3] Cambridge Crystallog Data Ctr, Cambridge CB2 1EZ, England

来源：

JOURNAL OF CHEMICAL INFORMATION AND MODELING | 2023年 / 63卷 / 19期

基金：

英国工程与自然科学研究理事会;

关键词：

METAL-ORGANIC FRAMEWORKS; WATER-ADSORPTION; GAS;

D O I：

10.1021/acs.jcim.3c01190

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Augmented reality (AR) is an emerging technique used to improve visualization and comprehension of complex 3D materials. This approach has been applied not only in the field of chemistry but also in real estate, physics, mechanical engineering, and many other areas. Here, we demonstrate the workflow for an app-free AR technique for visualization of metal-organic frameworks (MOFs) and other porous materials to investigate their crystal structures, topology, and gas adsorption sites. We think this workflow will serve as an additional tool for computational and experimental scientists working in the field for both research and educational purposes.

引用

页码：5950 / 5955

页数：6

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