First-principles investigation of the effect of charged unit cell on the electronic structure of two-dimensional MoS2
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DOI: 10.1016/j.ssc.2016.11.016
Abstract: Abstract Density-functional theory has been applied to investigate the effect of charged unit cell on the structural and electronic properties of two-dimensional MoS2 within PBE-GGA. The charge of the unit cell of the monolayer changes… read more here.
Keywords: charged unit; unit; two dimensional; unit cell ... See more keywords
Simple Models to Study Spectral Properties of Microbial and Animal Rhodopsins: Evaluation of the Electrostatic Effect of Charged and Polar Residues on the First Absorption Band Maxima
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DOI: 10.3390/ijms22063029
Abstract: A typical feature of proteins from the rhodopsin family is the sensitivity of their absorption band maximum to protein amino acid composition. For this reason, studies of these proteins often require methodologies that determine spectral… read more here.
Keywords: absorption; spectral properties; charged polar; absorption band ... See more keywords