Self-Assembled Two-Dimensional Nanoporous Crystals as Molecular Sieves: Molecular Dynamics Studies of 1,3,5-Tristyrilbenzene-C

Autor:	Alexander St, John, Michael W, Roth, Lucyna, Firlej, Bogdan, Kuchta, Fabrice, Charra, Carlos, Wexler
Rok vydání:	2020
Předmět:	Nanopores Benzene Derivatives Molecular Conformation Graphite Adsorption Molecular Dynamics Simulation
Zdroj:	Journal of chemical information and modeling. 60(4)
ISSN:	1549-960X
Popis:	Due to their unique geometry complex, self-assembled nanoporous 2D molecular crystals offer a broad landscape of potential applications, ranging from adsorption and catalysis to optoelectronics, substrate processes, and future nanomachine applications. Here we report and discuss the results of extensive all-atom Molecular Dynamics (MD) investigations of self-assembled organic monolayers (SAOM) of interdigitated 1,3,5-tristyrilbenzene (TSB) molecules terminated by alkoxy peripheral chains C
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=pmid________::00e4b018e8f28dcf87640a36a9886df9 https://pubmed.ncbi.nlm.nih.gov/32155335 Zobrazit plný text záznamu