Molecular Dynamics Simulation of CO<sub>2</sub> Uptake in NKPOC-1: Understanding the Temperature-Dependent Multistep Adsorption in Soft Porous Molecular Crystal-Reference-Cited by-同舟云学术

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Molecular Dynamics Simulation of CO₂ Uptake in NKPOC-1: Understanding the Temperature-Dependent Multistep Adsorption in Soft Porous Molecular Crystal

Published:2024-06-22 Issue:26 Volume:128 Page:10997-11005
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Yang Lan¹^ORCID,Zheng Han¹^ORCID,Mei Wei¹,Wang Zhifang²^ORCID,Zhang Zhenjie²^ORCID,Yu Kuang¹³^ORCID

Affiliation:

1. Tsinghua-Berkeley Shenzhen Institute (TBSI), Tsinghua University, University Town of Shenzhen, Nanshan District, Shenzhen 518055, P.R. China

2. College of Chemistry, State Key Laboratory of Medicinal Chemical Biology and Key Laboratory of Advanced Energy Materials Chemistry (MOE), Nankai University, Tianjin 300071, China

3. Tsinghua Shenzhen International Graduate School (TSIGS), Tsinghua University, University Town of Shenzhen, Nanshan District, Shenzhen 518055, P.R. China

Funder

Tsinghua Shenzhen International Graduate School

Shenzhen Bay Laboratory

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.4c02133

Reference72 articles.

1. Soft porous crystals

2. Selective gas adsorption and separation in metal–organic frameworks

3. Metal–Organic Frameworks for Separations

4. Methane storage in metal–organic frameworks

5. Methane storage in advanced porous materials

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