Nitrogenated holey graphene C2N monolayer anodes for lithium- and sodium-ion batteries with high performance
Sign Up to like & getrecommendations! Published in 2019 at "Energy Storage Materials"
DOI: 10.1016/j.ensm.2018.09.001
Abstract: Abstract The experimentally synthesized layered nitrogenated holey graphene (C2N) nanosheets possess intriguing properties, having broad applications such as in metal-ion batteries and catalysis. However, its impurity and lack of C2N monolayers in experiments and the… read more here.
Keywords: c2n monolayer; ion batteries; high performance; monolayer ... See more keywords
High capacity and reversible hydrogen storage on two dimensional C2N monolayer membrane
Sign Up to like & getrecommendations! Published in 2018 at "International Journal of Hydrogen Energy"
DOI: 10.1016/j.ijhydene.2018.04.065
Abstract: Searching advanced materials with high capacity and efficient reversibility for hydrogen storage is a key issue for the development of hydrogen as a clean energy. Here, we have explored the potential application of C2N monolayer… read more here.
Keywords: hydrogen storage; capacity; energy; hydrogen ... See more keywords
Catalytic decomposition of N2O on iron-embedded C2N monolayer: A DFT study
Sign Up to like & getrecommendations! Published in 2021 at "Materials today communications"
DOI: 10.1016/j.mtcomm.2021.102585
Abstract: Abstract In order to control and decompose nitrous oxide (N2O), an economical and efficient catalyst is needed. Here, the N2O reduction mechanism using recently synthesized Iron-embedded C2N monolayer (Fe@C2N) as catalyst ware investigated by density… read more here.
Keywords: n2o reduction; c2n monolayer; iron embedded; reduction ... See more keywords
Density functional theory investigation of the enhanced adsorption mechanism and potential catalytic activity for formaldehyde degradation on Al-decorated C2N monolayer
Sign Up to like & getrecommendations! Published in 2019 at "Chinese Journal of Catalysis"
DOI: 10.1016/s1872-2067(18)63201-2
Abstract: Abstract Carbonyl compounds, in particular formaldehyde (HCHO), are among the most common indoor air pollutants that have been found to be toxic to humans. Thus, in this study, density functional theory (DFT) calculations are performed… read more here.
Keywords: degradation; adsorption; decorated c2n; density ... See more keywords
Understanding the anchoring and catalytic effect of the Co@C2N monolayer in lithium-selenium batteries: a first-principles study.
Sign Up to like & getrecommendations! Published in 2021 at "Nanoscale"
DOI: 10.1039/d1nr03406e
Abstract: The practical applications of lithium-selenium (Li-Se) batteries are impeded due to the low utilization of active selenium, sluggish kinetics, and volume change. The development of highly efficient host materials to suppress high-order polyselenide shuttling and… read more here.
Keywords: selenium batteries; lithium selenium; c2n monolayer; monolayer ... See more keywords
Magnetic properties of X-C2N (X=Cl, Br and I) monolayers: A first-principles study
Sign Up to like & getrecommendations! Published in 2018 at "AIP Advances"
DOI: 10.1063/1.5025881
Abstract: The electronic and magnetic properties of X-C2N (X=F, Cl, Br and I) monolayers have been systematically investigated from first-principles calculations. The F atom can be strongly adsorbed on the top of the host carbon atoms,… read more here.
Keywords: c2n monolayers; magnetic properties; properties c2n; first principles ... See more keywords
Elastic and electronic properties of C2N monolayer: first-principles calculation
Sign Up to like & getrecommendations! Published in 2018 at "Materials Research Express"
DOI: 10.1088/2053-1591/aae9ca
Abstract: In this paper, elastic constants, elasticity and the electronic properties of C_2 N monolayer are studied using density functional theory. The in-plane stiffness and the Poisson's ratio values tally with a similar graphitic two-dimensional carbon… read more here.
Keywords: band gap; monolayer; properties c2n; electronic properties ... See more keywords
Al-Decorated C2N Monolayer as a Potential Catalyst for NO Reduction with CO Molecules: A DFT Investigation
Sign Up to like & getrecommendations! Published in 2022 at "Molecules"
DOI: 10.3390/molecules27185790
Abstract: Developing efficient and economical catalysts for NO reduction is of great interest. Herein, the catalytic reduction of NO molecules on an Al-decorated C2N monolayer (Al-C2N) is systematically investigated using density functional theory (DFT) calculations. Our… read more here.
Keywords: c2n monolayer; catalyst reduction; catalyst; decorated c2n ... See more keywords