Matches in SemOpenAlex for { <https://semopenalex.org/work/W3209153054> ?p ?o ?g. }
- W3209153054 abstract "Engineering of the 2D materials' electronic structure is at the forefront of nanomaterials research nowadays, giving an advance in the development of next-generation photonic devices, e-sensing technologies, and smart materials. Herein, employing core-level spectroscopy methods combined with density functional theory (DFT) modeling, the modification of the graphenes' valence band (VB) upon its derivatization by carboxyls and ketones is revealed. The appearance of a set of localized states in the VB of graphene related to molecular orbitals of the introduced functionalities is signified both experimentally and theoretically. Applying the DFT calculations of the density of states projected on the functional groups, their contributions to the VB structure are decomposed. An empirical approach, allowing one to analyze and predict the impact of a certain functional group on the graphenes' electronic structure in terms of examination of the model molecules, mimicking the introduced functionality, is proposed and validated. The interpretation of the arising states origin is made and their designation, pointing out their symmetry type, is proposed. Taken together, these results guide the band structure engineering of graphene derivatives and give a hint on the mechanisms underlying the alteration of the VB structure of 2D materials upon their derivatization." @default.
- W3209153054 created "2021-11-08" @default.
- W3209153054 creator A5013321321 @default.
- W3209153054 creator A5033395256 @default.
- W3209153054 creator A5034647801 @default.
- W3209153054 creator A5054072910 @default.
- W3209153054 creator A5062168139 @default.
- W3209153054 creator A5074210515 @default.
- W3209153054 creator A5076860588 @default.
- W3209153054 creator A5079515007 @default.
- W3209153054 creator A5084398850 @default.
- W3209153054 creator A5091258371 @default.
- W3209153054 date "2021-10-27" @default.
- W3209153054 modified "2023-10-14" @default.
- W3209153054 title "Valence Band Structure Engineering in Graphene Derivatives" @default.
- W3209153054 cites W1149712658 @default.
- W3209153054 cites W1641583379 @default.
- W3209153054 cites W1967609191 @default.
- W3209153054 cites W1968392598 @default.
- W3209153054 cites W1969970130 @default.
- W3209153054 cites W1970127494 @default.
- W3209153054 cites W1976452436 @default.
- W3209153054 cites W1981368803 @default.
- W3209153054 cites W1985760165 @default.
- W3209153054 cites W2004559269 @default.
- W3209153054 cites W2007395042 @default.
- W3209153054 cites W2007871056 @default.
- W3209153054 cites W2007898563 @default.
- W3209153054 cites W2008209064 @default.
- W3209153054 cites W2023629653 @default.
- W3209153054 cites W2027208134 @default.
- W3209153054 cites W2036113194 @default.
- W3209153054 cites W2047617924 @default.
- W3209153054 cites W2053184311 @default.
- W3209153054 cites W2056752572 @default.
- W3209153054 cites W2064903819 @default.
- W3209153054 cites W2077125608 @default.
- W3209153054 cites W2083222334 @default.
- W3209153054 cites W2087138441 @default.
- W3209153054 cites W2092562092 @default.
- W3209153054 cites W2108567026 @default.
- W3209153054 cites W2111088912 @default.
- W3209153054 cites W2118258793 @default.
- W3209153054 cites W2134188586 @default.
- W3209153054 cites W2166069379 @default.
- W3209153054 cites W2167280633 @default.
- W3209153054 cites W2227790815 @default.
- W3209153054 cites W2313345265 @default.
- W3209153054 cites W2315001955 @default.
- W3209153054 cites W2324573763 @default.
- W3209153054 cites W2330407599 @default.
- W3209153054 cites W2333717494 @default.
- W3209153054 cites W2511242203 @default.
- W3209153054 cites W2548201546 @default.
- W3209153054 cites W2555091174 @default.
- W3209153054 cites W2577595910 @default.
- W3209153054 cites W2599526570 @default.
- W3209153054 cites W2614603801 @default.
- W3209153054 cites W2740026211 @default.
- W3209153054 cites W2750757370 @default.
- W3209153054 cites W2763444242 @default.
- W3209153054 cites W2765625945 @default.
- W3209153054 cites W2883053054 @default.
- W3209153054 cites W2888862120 @default.
- W3209153054 cites W2889084227 @default.
- W3209153054 cites W2927255873 @default.
- W3209153054 cites W2939272028 @default.
- W3209153054 cites W2981644170 @default.
- W3209153054 cites W2985231787 @default.
- W3209153054 cites W2998241881 @default.
- W3209153054 cites W2999550980 @default.
- W3209153054 cites W3010601110 @default.
- W3209153054 cites W3016456929 @default.
- W3209153054 cites W3017492984 @default.
- W3209153054 cites W3089466306 @default.
- W3209153054 cites W3115837170 @default.
- W3209153054 cites W3124473374 @default.
- W3209153054 cites W3133767177 @default.
- W3209153054 cites W3146818558 @default.
- W3209153054 cites W3174007280 @default.
- W3209153054 cites W3181457586 @default.
- W3209153054 doi "https://doi.org/10.1002/smll.202104316" @default.
- W3209153054 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34704658" @default.
- W3209153054 hasPublicationYear "2021" @default.
- W3209153054 type Work @default.
- W3209153054 sameAs 3209153054 @default.
- W3209153054 citedByCount "8" @default.
- W3209153054 countsByYear W32091530542021 @default.
- W3209153054 countsByYear W32091530542022 @default.
- W3209153054 countsByYear W32091530542023 @default.
- W3209153054 crossrefType "journal-article" @default.
- W3209153054 hasAuthorship W3209153054A5013321321 @default.
- W3209153054 hasAuthorship W3209153054A5033395256 @default.
- W3209153054 hasAuthorship W3209153054A5034647801 @default.
- W3209153054 hasAuthorship W3209153054A5054072910 @default.
- W3209153054 hasAuthorship W3209153054A5062168139 @default.
- W3209153054 hasAuthorship W3209153054A5074210515 @default.
- W3209153054 hasAuthorship W3209153054A5076860588 @default.
- W3209153054 hasAuthorship W3209153054A5079515007 @default.
- W3209153054 hasAuthorship W3209153054A5084398850 @default.