Open AccessAdsorption of Phosgene Gas on Pristine and Copper-Decorated B12N12 Nanocages: A Comparative DFT Study
Author(s) -
Shahid Hussain,
Riaz Hussain,
Muhammad Yasir Mehboob,
Shahzad Ali Shahid Chatha,
Abdullah Ijaz Hussain,
Ali Umar,
Muhammad Usman Khan,
Mahmood Ahmed,
Muhammad Adnan,
Khurshid Ayub
Publication year - 2020
Publication title -
acs omega
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.779
H-Index - 40
ISSN - 2470-1343
DOI - 10.1021/acsomega.0c00507
Subject(s) - nanocages , copper , adsorption , density functional theory , phosgene , materials science , dipole , chemistry , computational chemistry , inorganic chemistry , organic chemistry , metallurgy , catalysis
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