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Decoding disorder signatures of AuCl3 and vacancies in MoS2 films: from synthetic to experimental inversion

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Autor(es):
Duarte, F. R. ; Matusalem, F. ; Grasseschi, D. ; Rocha, A. R. ; Seixas, Leandro ; de Matos, Christiano J. S. ; Mukim, S. ; Ferreira, M. S.
Número total de Autores: 8
Tipo de documento: Artigo Científico
Fonte: JOURNAL OF PHYSICS-CONDENSED MATTER; v. 36, n. 49, p. 10-pg., 2024-12-11.
Resumo

This study investigates the scope of application of a recently designed inversion methodology that is capable of obtaining structural information about disordered systems through the analysis of their conductivity response signals. Here we demonstrate that inversion tools of this type are capable of sensing the presence of disorderly distributed defects and impurities even in the case where the scattering properties of the device are only weakly affected. This is done by inverting the DC conductivity response of monolayered MoS2 films containing a minute amount of AuCl3 coordinated complexes. Remarkably, we have successfully extracted detailed information about the concentration of AuCl3 by decoding its signatures on the transport features of simulated devices. In addition to the case of theoretically generated Hamiltonians, we have also carried out a full inversion procedure from experimentally measured signals of similar structures. Based on experimental input signals of MoS2 with naturally occurring vacancies, we were able to quantify the vacancy concentration contained in the samples, which indicates that the inversion methodology has experimental applicability as long as the input signal is able to resolve the characteristic contributions of the type of disorder in question. Being able to handle more complex, realistic scenarios unlocks the method's applicability for designing and engineering even more elaborate materials. (AU)

Processo FAPESP: 22/14549-3 - Materiais de alta entropia inteligíveis: desenvolvendo modelos, dados e aplicações
Beneficiário:Leandro Seixas Rocha
Modalidade de apoio: Auxílio à Pesquisa - Regular
Processo FAPESP: 15/10405-3 - Síntese, caracterização, funcionalização e ordenação de nanoestruturas metálicas
Beneficiário:Daniel Grasseschi
Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado
Processo FAPESP: 17/01817-1 - Síntese de nanoestruturas de graphene para aplicação em plasmônica
Beneficiário:Daniel Grasseschi
Modalidade de apoio: Bolsas no Exterior - Estágio de Pesquisa - Pós-Doutorado
Processo FAPESP: 18/07276-5 - Biodetecção plasmônica no infra-vermelho médio e longínquo usando grafeno
Beneficiário:Christiano José Santiago de Matos
Modalidade de apoio: Auxílio à Pesquisa - Regular