Dynamic Intermolecular Space for Reversible CO_(2)Capture and Release

作     者：Jin Zhou Yanan Wang Xiang Zhu Jin Zhao Hrvoje Petek Shijing Tan Bing Wang 周晋;王亚南;祝翔;赵瑾;Hrvoje Petek;谭世惊;王兵

作者机构：Hefei National Research Center for Physical Sciences at the Microscale and New Cornerstone Science LaboratoryUniversity of Science and Technology of ChinaHefei 230026China Songshan Lake Materials LaboratoryDongguan 523808China Institute of PhysicsChinese Academy of SciencesBeijing 100190China Hefei National LaboratoryUniversity of Science and Technology of ChinaHefei 230088China Department of Physics and Astronomy and the IQ InitiativeUniversity of PittsburghPittsburgh 15260USA 

基　　金：supported by the Innovation Program for Quantum Science and Technology(2021ZD0303302) the CAS Project for Young Scientists in Basic Research(YSBR-054) the National Natural Science Foundation of China(Nos.22425206,21972129) NSF grant CHE-2303197 the New Cornerstone Science Foundation 

出 版 物：《Chinese Journal of Chemical Physics》 (化学物理学报(英文))

年 卷 期：2025年第38卷第1期

页      码：8-16,I0001-I0005,I0055页

摘      要：Molecular constructs define the elementary units in porous materials for efficient CO_(2)*** design of appro-priate interpore and intermolecular space is crucial to stabilize CO_(2)molecules and maximize the *** the molecular construct usually has a fixed dimension,whether its inter-molecular space could be self-adjustable during CO_(2)capture and release,behaving as a balloon,has captured *** we report a flexible intermolecular space of the double chain structure of self-assembled 1,4-pheny-lene diisocyanide(PDI)molecules on Ag(110)surface,which dynamically broadens and recovers during the CO_(2)capture and *** incipient PDI double chains organize along the[001]direction of Ag(110),in which individual PDI molecules stand up in a zigzag order with the interchain width defined by twice the Ag lattice distance along_([110])direction(2α_([110])).When CO_(2)molecules are introduced,they assemble to occupy the interchain spaces,expanding the interchain width to 3α_([110]),4α_([110])and 5α_([110]):Warming up the sample leads to the thermally-driven CO_(2)desorption that recovers the original interchain ***-resolution scanning tunneling microscopy(STM)jointly with density functional theory(DFT)calculations determine the structural and electronic interactions of CO_(2)molecules with the dynamical PDI structures,providing a molecular-level perspective for the design of a self-adjustable metal-organic construct for reversible gas capture and release.

主 题 词：CO_(2)capture Self-assembly Intermolecular interactions Scanning tunneling microscopy 

学科分类：07[理学] 0701[理学-数学类] 070101[070101] 

核心收录：

D　O　I：10.1063/1674-0068/cjcp2409133

馆 藏 号：203157623...