Adaptive regularized Gaussian process regression for application in the context of hydrogen adsorption on graphene sheets
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27035
Abstract: We present a Gaussian process regression (GPR) scheme with an adaptive regularization scheme applied to the QM7 and QM9 test set, several protonated water clusters and specifically to the problem of atomic hydrogen adsorption on… read more here.
Keywords: adsorption graphene; hydrogen adsorption; graphene sheets; gaussian process ... See more keywords
Asphaltene and Maltene Adsorption into Graphene
Sign Up to like & getrecommendations! Published in 2019 at "Energy & Fuels"
DOI: 10.1021/acs.energyfuels.9b01681
Abstract: In this work, the mechanism by which insoluble asphaltenes represented by small graphene fragments interact with different components of crude oils is explored. Adsorption isotherms of maltenes and asphaltenes into graphene from toluene were determined… read more here.
Keywords: adsorption; graphene; asphaltene maltene; adsorption graphene ... See more keywords
Lithium Adsorption on Graphene at Finite Temperature
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.8b05689
Abstract: The increasing demand for high-energy-density lithium-ion batteries motivates a search for alternative electrode materials. Experimentally obtained graphene-based structures have been suggested to replace the state-of-the-art graphitic anode. For a thorough characterization of Li adsorption on… read more here.
Keywords: finite temperature; temperature; graphene; adsorption graphene ... See more keywords
Catechol adsorption on graphene nanoplatelets: isotherm, flat to vertical phase transition and desorption kinetics††Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc01331k Click here for additional data file.
Sign Up to like & getrecommendations! Published in 2017 at "Chemical Science"
DOI: 10.1039/c7sc01331k
Abstract: UV-Vis and nano-impact experiments are presented here as a powerful method for probing adsorption and desorption of molecules on nanomaterials. read more here.
Keywords: catechol adsorption; nanoplatelets isotherm; adsorption; adsorption graphene ... See more keywords
Appraisal of Cu(ii) adsorption by graphene oxide and its modelling via artificial neural network
Sign Up to like & getrecommendations! Published in 2019 at "RSC Advances"
DOI: 10.1039/c9ra06079k
Abstract: Graphene oxide (GO), as an emerging material, exhibits extraordinary performance in terms of water treatment. read more here.
Keywords: graphene oxide; modelling via; graphene; adsorption graphene ... See more keywords