Cover Feature: Molecular-Level Insight into the Chlorofluorocarbons Adsorption by Defective Covalent Organic Polymers (ChemPhysChem 20/2024)

IF 2.3 3区化学 Q3 CHEMISTRY, PHYSICAL

Chemphyschem Pub Date : 2024-10-15 DOI:10.1002/cphc.202482003

Jian Shen, Mohammad Wahiduzzaman, Abhishek Kumar, Dushyant Barpaga, B. Peter McGrail, Praveen K Thallapally, Guillaume Maurin, Radha Kishan Motkuri

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引用次数: 0

Abstract

The Cover Feature shows modeling of a 1D Ising-like Hamiltonian chain for binuclear spin-crossover materials accounting for two-, three- and four-body intra- and inter-binuclear interactions. Exact treatment is carried out within the frame of the transfer matrix method. In the case of competing anti-ferroelastic intra-dinuclear and ferroelastic inter-dinuclear interactions, thermally induced two-, three- and four-step transitions are obtained. When interchain interactions are considered, multistep hysteretic transitions are generated, reproducing the experimental observations. More information can be found in the Research Article by K. Boukheddaden and co-workers (DOI: 10.1002/cphc.202400238).

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封面专题：缺陷共价有机聚合物吸附氟氯化碳的分子级洞察（ChemPhysChem 20/2024）

封面特写展示了双核自旋交叉材料的一维伊辛类哈密顿链建模，其中考虑了二、三和四体的核内和核间相互作用。在转移矩阵法的框架内进行了精确处理。在核内反铁磁性和核间铁磁性相互作用相互竞争的情况下，得到了热诱导的两级、三级和四级转变。当考虑链间相互作用时，会产生多级滞后转变，再现了实验观察结果。更多信息请参阅 K. Boukheddaden 及其合作者的研究文章（DOI: 10.1002/cphc.202400238）。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Chemphyschem 化学-物理：原子、分子和化学物理

CiteScore

4.60

自引率

3.40%

发文量

425

审稿时长

1.1 months

期刊介绍： ChemPhysChem is one of the leading chemistry/physics interdisciplinary journals (ISI Impact Factor 2018: 3.077) for physical chemistry and chemical physics. It is published on behalf of Chemistry Europe, an association of 16 European chemical societies. ChemPhysChem is an international source for important primary and critical secondary information across the whole field of physical chemistry and chemical physics. It integrates this wide and flourishing field ranging from Solid State and Soft-Matter Research, Electro- and Photochemistry, Femtochemistry and Nanotechnology, Complex Systems, Single-Molecule Research, Clusters and Colloids, Catalysis and Surface Science, Biophysics and Physical Biochemistry, Atmospheric and Environmental Chemistry, and many more topics. ChemPhysChem is peer-reviewed.