期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 125, 期 10, 页码 5897-5903出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.0c11551
关键词
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资金
- Samsung Research Funding & Incubation Center of Samsung Electronics [SRFC-MA1702-07]
A computational screening algorithm was developed to allow heteroepitaxial growth of three-dimensional COFs theoretically using MOFs as substrates. The algorithm detailed the interface of MOF@COF at the atomic/molecular level to create 3D COFs using a bottom-up approach. 19 pairs of MOF@COF were selected as candidates for heteroepitaxial growth of 3D COFs on the surface of MOFs.
Covalent-organic frameworks (COFs) are regarded as promising candidates for many different energy/environmental applications, but these materials are more difficult to synthesize compared to other porous materials such as metal-organic frameworks (MOFs). Herein, we developed a computational screening algorithm that uses MOFs as substrates in order to theoretically allow heteroepitaxial growth of three-dimensional COFs (3D COFs). The algorithm details the interface of MOF@COF at the atomic/molecular level in order to create 3D COFs using a bottom-up approach. Consequently, 19 pairs of MOF@COF resulted from the algorithm are selected as candidates for heteroepitaxial growth of 3D COFs on the surface of MOFs.
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