Relativistic structural characterization of molybdenum and tungsten disulfide materials

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Relativistic structural characterization of molybdenum and tungsten disulfide materials

Arockiaraj, Micheal ...

Vpeljava dvodimenzionalnih dihalkogenidov prehodnih kovin je sprožila zanimanje za raziskovanje novega razreda visoko zmogljivih materialov z zanimivimi fizikalno-kemijskimi lastnostmi. Molibden in ... volfram disulfidi so pritegnili precejšnjo pozornost zaradi površinskih ekscitonov in trionov ter velikih efektov spin-orbite v teh spojinah. Poleg tega je WS▫$_{2}$▫ še posebej zanimiv zaradi velikega relativističnih učinkov, ki tvorijo vezane eksitone na robu in formacije biekscitona v dvoslojih. Zato predstavljamo relativistični topološki model za karakterizacijo teh dveh vrst kovinskih disulfidov. Uporabili smo relativistično utežene grafovske metode za pridobivanje strukturnih deskriptorjev teh spojin z vključevanjem različnih oblik na robovih. Pri tem smo uporabili tudi topološko prerezno metodo.

Source: International journal of quantum chemistry. - ISSN 0020-7608 (Vol. 121, iss. 5, March 2021, art. e26492 (24 str.))

Type of material - article, component part ; adult, serious

Publish date - 2021

Language - english

COBISS.SI-ID - 47683587

Link(s):
https://doi.org/10.1002/qua.26492

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Author
Arockiaraj, Micheal | Klavžar, Sandi | Kavitha, S. Ruth Julie | Mushtaq, Shagufa | Balasubramanian, Krishnan

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source: International journal of quantum chemistry. - ISSN 0020-7608 (Vol. 121, iss. 5, March 2021, art. e26492 (24 str.))

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Year	Impact factor		Edition		Category		Classification
Year	JCR	SNIP	JCR	SNIP	JCR	SNIP	JCR	SNIP

Links to authors' personal bibliographies	Links to information on researchers in the SICRIS system
Arockiaraj, Micheal
Klavžar, Sandi	05949
Kavitha, S. Ruth Julie
Mushtaq, Shagufa
Balasubramanian, Krishnan

Source: Personal bibliographies and: SICRIS

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