Adsorption of O2 on the M doped (M=Fe, Co, Al, Cu, and Zn) SiC sheets: DFT study
Sign Up to like & getrecommendations! Published in 2018 at "Computational Condensed Matter"
DOI: 10.1016/j.cocom.2018.e00323
Abstract: Abstract Adsorption of O2 on the M doped SiC sheets (M = Fe, Co, Al, Cu, and Zn) have been studied by density functional theory. We found that MSi doped SiC sheets have the higher structural stability… read more here.
Keywords: adsorption doped; sheets dft; doped sic; dft study ... See more keywords
Ammonia adsorption on Pt-doped black phosphorous quantum dots (BPQDs): A DFT-D2 study
Sign Up to like & getrecommendations! Published in 2019 at "Superlattices and Microstructures"
DOI: 10.1016/j.spmi.2019.03.018
Abstract: Abstract The adsorption behavior and electronic properties of ammonia on pristine and Pt-doped BPQDs with different sizes were investigated with DFT technique. The ammonia molecule was physically adsorbed on the pristine BPQDs. With the doping… read more here.
Keywords: adsorption doped; adsorption; bpqds; doped bpqds ... See more keywords