Defective boron carbide monolayer as a chemical sensor for dopamine drug
Sign Up to like & getrecommendations! Published in 2020 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2020.112948
Abstract: Abstract By implementing density functional theory method, we studied the dopamine (DA) drug adsorption onto pristine and double-vacancy defected BC3 (DV-BC3) monolayer in order to evaluate the potential application of this nanostructure as a sensing… read more here.
Keywords: monolayer; bc3; defective boron; drug ... See more keywords
Synergistic enhancement of oxygen reduction reaction with BC3 and graphitic-N in boron- and nitrogen-codoped porous graphene
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Catalysis"
DOI: 10.1016/j.jcat.2018.01.013
Abstract: Abstract Rational design and optimization of metal-free electrocatalysts for the oxygen reduction reaction (ORR) is crucial for fuel cells and metal-air batteries. However, identifying design principle that links the active sites and their synergistic effects… read more here.
Keywords: reduction; bc3; codoped porous; reduction reaction ... See more keywords
Hexagonal BC3 Electrode for a High-Voltage Al-Ion Battery
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b02290
Abstract: Recent progresses in the field of Al-ion batteries have given directions to look for new electrode materials that can lead toward the enhancement of battery performance. Using the dispersion-corrected density functional theory calculations, we have… read more here.
Keywords: voltage; hexagonal bc3; ion battery; bc3 ... See more keywords
Thermal conductivity and mechanical properties of graphene-like BC2, BC3 and B4C3
Sign Up to like & getrecommendations! Published in 2020 at "Molecular Simulation"
DOI: 10.1080/08927022.2020.1786085
Abstract: ABSTRACT Recently, carbon-based 2D nanomaterials have received significant attention because of their superior physical properties. In this investigation, the thermal conductivity (TC) and mechanical properties of graphene-like BC2, BC3 and B4C3 structures are systematically examined,… read more here.
Keywords: bc3; like bc2; properties graphene; mechanical properties ... See more keywords