Phosphides or nitrides for better NLO properties? A detailed comparative study of alkali metal doped nano-cages
Sign Up to like & getrecommendations! Published in 2017 at "Materials Research Bulletin"
DOI: 10.1016/j.materresbull.2017.03.065
Abstract: Abstract Phosphide nano-cages of MX 12 P 11 and MX 11 P 12 (where X = B or Al, M = Li, Na, K) are investigated theoretically for geometric, electronic and nonlinear optical (NLO) properties. Alkali metal is doped… read more here.
Keywords: nlo properties; nano cages; alkali metal;
The equilibrium structure of self-assembled protein nano-cages.
Sign Up to like & getrecommendations! Published in 2018 at "Nanoscale"
DOI: 10.1039/c8nr07202g
Abstract: Understanding how highly symmetric, robust, monodisperse protein nano-cages self-assemble can have major applications in various areas of bio-nanotechnology, such as drug delivery, biomedical imaging and gene therapy. We develop a model to investigate the assembly… read more here.
Keywords: assembled protein; self assembled; nano cages; protein nano ... See more keywords
DFT investigation on the application of pure and doped X12N12 (X = B and Al) fullerene-like nano-cages toward the adsorption of temozolomide
Sign Up to like & getrecommendations! Published in 2022 at "Royal Society Open Science"
DOI: 10.1098/rsos.211650
Abstract: The sensitivity of pure and doped X12N12 (X = B and Al) fullerene-like nano-cages (FLNs) toward the anti-cancer drug temozolomide (TMZ) is probed herein at DFT/M06-2X-D3/6-311G(d,p) theoretical level in both gas phase and water. A… read more here.
Keywords: pure; doped x12n12; x12n12 fullerene; pure doped ... See more keywords