Reactivity of Amorphous Carbon Surfaces: Rationalizing the Role of Structural Motifs in Functionalization Using Machine Learning

[Image: see text] Systematic atomistic studies of surface reactivity for amorphous materials have not been possible in the past because of the complexity of these materials and the lack of the computer power necessary to draw representative statistics. With the emergence and popularization of machin...

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Detaylı Bibliyografya
Yayımlandı:Chem Mater
Asıl Yazarlar: Caro, Miguel A., Aarva, Anja, Deringer, Volker L., Csányi, Gábor, Laurila, Tomi
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: American Chemical Society 2018
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC6251556/
https://ncbi.nlm.nih.gov/pubmed/30487663
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.chemmater.8b03353
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