Engineering of Band Gap in Metal–Organic Frameworks by Functionalizing Organic Linker: A Systematic Density Functional Theory Investigation

The Journal of Physical Chemistry C

DOI: 10.1021/jp405997r

Hung Q. Pham, Toan Mai, Nguyen-Nguyen Pham-Tran, Yoshiyuki Kawazoe, Hiroshi Mizuseki and Duc Nguyen-Manh

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