Computational Design of Porous Graphenes for Alkane Isomer Separation
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b02915
Abstract: Using first-principles calculations, we systematically evaluated a series of single-layer porous graphene membranes with different sized pores passivated by hydrogen atoms for separating short alkane isomers (C = 5–7). We found that graphene membranes with… read more here.
Keywords: computational design; graphenes alkane; porous graphenes; separation ... See more keywords
Unique Design of Porous Organic Framework Showing Efficiency toward Removal of Toxicants
Sign Up to like & getrecommendations! Published in 2017 at "ACS Omega"
DOI: 10.1021/acsomega.7b00661
Abstract: This report deligates about the creation of porous polymeric organic framework (POF) from dialkynes and poly(alkyne) with their discovery as an efficient set of purifier. POF showed efficient physisorption for dyes—fluorescein and rhodamine B. The… read more here.
Keywords: pof; toward removal; unique design; design porous ... See more keywords
Targeted design of porous materials without strong, directional interactions.
Sign Up to like & getrecommendations! Published in 2022 at "Chemical communications"
DOI: 10.1039/d2cc04682b
Abstract: A porous molecular crystal (TSCl) was found to crystallise from dichloromethane and water during the synthesis of tetrakis(4-sulfophenylmethane). Crystal structure prediction (CSP) rationalises the driving force behind the formation of this porous TSCl phase and… read more here.
Keywords: materials without; design porous; directional interactions; targeted design ... See more keywords