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Transport properties of Cu-AlF 3 -W and Cu-AlF 3 -Cu heterojunctions using STS measurements and a DFT-NEGF approach
(Elsevier B.V., 2018-09)
To understand and to analyze the transport properties of different metal-insulator systems, we developed an experimental study of the electronic transport properties of AlF 3 thin films deposited over a Cu(1 0 0) substrate, ...
Estudo de primeiros princípios das propriedades eletrônicas de novos materiais derivados do grafeno : as nanofitas e nanofios
(Universidade Federal de São CarlosBRUFSCarPrograma de Pós-Graduação em Física - PPGF, 2012-09-05)
In this thesis, we study new materials derived from graphene, like nanowires and nanoribbons, with numerical calculations based on the density functional theory (DFT) and the non-equilibrium Green functions (NEGF). We will ...
Computational study of transport properties of graphene upon adsorption of an amino acid: importance of including -NH2 and -COOH groups
(Springer, 2017-03)
The effects of histidine and its imidazole ring adsorption on the electronic transport properties of graphene were investigated by first-principles calculations within a combination of density functional theory and ...
Electronic transport in a graphene single layer: Application in amino acid sensing
(Royal Society of Chemistry, 2019)
We modeled a type of field-effect transistor device based on graphene for the recognition of amino acids with a potential application in the building of a protein sequencer. The theoretical model used was a combination of ...
Study of the Influence of Localized Vibrational Modes in Charge Transport Properties at Nanoscale Systems.
(Sociedade Brasileira de FísicaÁguas de Lindóia, 2013-05-13)
In molecular and atomic devices the interaction between electrons and ionic vibrations has an important role in electronic transport. The electron-phonon coupling can cause the loss of the electron's phase coherence, the ...
Bias-dependent local structure of water molecules at a metallic interface
(Royal Soc Chemistry, 2018-01-07)
Understanding the local structure of water at the interfaces of metallic electrodes is a key issue in aqueousbased electrochemistry. Nevertheless a realistic simulation of such a setup is challenging, particularly when the ...
Theoretical studies for the development of detection mechanisms for tamoxifen and derivative metabolites
(Instituto Tecnológico y de Estudios Superiores de Monterrey, 2022-12-08)
Tamoxifen is an estrogen receptor antagonist designated as the main therapy for treating and preventing breast cancer, which has been identified as a major public health concern. Identifying and quantifying tamoxifen and ...
Estudo teórico de nanofitas de grafeno dopadas com Ni e Mn
(Universidade Federal de Santa MariaBRFísicaUFSMPrograma de Pós-Graduação em Física, 2010-07-16)
In this work we present the results of a systematic study of the stability, and the electronic, stuctural and magnetic properties of graphene nanoribbons doped with Ni (Ni/GNR) and Mn (Mn/GNR), through ab initio density ...
From the Keldysh formalism to the Boltzmann equation for spin drift and diffusionDo formalismo de Keldysh à equação de Boltzmann para desvio e difusão de rotação
(Universidade Federal de UberlândiaBrasilPrograma de Pós-graduação em Física, 2020)
Efeito de interferência quântica no transporte eletrônico de dispositivos "quasi"-unidimensionaisEffect of quantum interference on the electronic transport of "quasi" -dimensional devices
(Universidade Federal do ParáBrasilInstituto de TecnologiaUFPAPrograma de Pós-Graduação em Engenharia Elétrica, 2018)