R H Miwa
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Explore the profile of R H Miwa including associated specialties, affiliations and a list of published articles.
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31
Citations
61
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Recent Articles
1.
Silvestre G, de Lima F, Bernardes J, Fazzio A, Miwa R
Phys Chem Chem Phys
. 2022 Dec;
25(2):1161-1168.
PMID: 36519443
The development of electronic devices based on the functionalization of (nano)cellulose platforms relies upon an atomistic understanding of the structural and electronic properties of a combined system, cellulose/functional element. In...
2.
de Lima F, Fazzio A, McLean A, Miwa R
Phys Chem Chem Phys
. 2020 Sep;
22(37):21504-21511.
PMID: 32955064
It has recently been demonstrated that N-heterocyclic carbenes (NHCs) form self-assembled monolayers (SAMs) on metal surfaces. Consequently, it is important to both characterize and understand their binding modes to fully...
3.
Lima M, Miwa R, Fazzio A
Phys Chem Chem Phys
. 2019 Oct;
21(44):24584-24591.
PMID: 31664278
The electronic transport properties in molecular heterojunctions are intimately connected with the molecular conformation between the electrodes, and the electronic structure of the molecule/electrode interface. In this work, we perform...
4.
de Lima F, Ferreira G, Miwa R
Phys Chem Chem Phys
. 2019 Oct;
21(40):22344-22350.
PMID: 31576867
Materials with properties designed on-demand arise in a synergy between theoretical and experimental approaches. Here, we explore a set of Archimedean lattices, providing a guide to their electronic properties and...
5.
Silvestre G, Scopel W, Miwa R
Nanoscale
. 2019 Sep;
11(38):17894-17903.
PMID: 31553033
We performed a theoretical investigation of the structural and electronic properties of (i) pristine and (ii) superlattice structures of borophene. In (i), by combining first-principles calculations, based on the density...
6.
de Lima F, Ferreira G, Miwa R
Nano Lett
. 2019 Aug;
19(9):6564-6568.
PMID: 31424949
Recently, orbital-textures have been found in Rashba and topological insulator (TI) surface states as a result of the spin-orbit coupling (SOC). Here, we predict a p/p orbital texture, in linear...
7.
de Lima F, Ferreira G, Miwa R
J Chem Phys
. 2019 Jun;
150(23):234701.
PMID: 31228898
We investigate the layer localization control of two-dimensional states in multilayer metal-organic frameworks (MOFs). For finite stackings of (NiCS) MOFs, the weak van der Waals coupling between adjacent layers leads...
8.
de Oliveira I, Kagimura R, Venezuela P, Miwa R
J Chem Phys
. 2019 Jun;
150(20):204701.
PMID: 31153217
We performed a theoretical investigation of single-walled carbon nanotubes (CNTs) functionalized with triazine molecules. Upon adsorption, the influence of the molecule orientation on the CNTs' electronic properties is examined by...
9.
de Lima F, Ferreira G, Miwa R
Phys Chem Chem Phys
. 2018 Aug;
20(35):22652-22659.
PMID: 30132483
The realization of the Quantum anomalous Hall effect (QAHE) in two dimensional (2D) metal organic frameworks (MOFs), (MC4S4)3 with M = Mn, Fe, Co, Ru and Rh, has been investigated...
10.
Crasto de Lima F, Miwa R, Miranda C
J Chem Phys
. 2017 Nov;
147(17):174704.
PMID: 29117701
Layered clay materials have been used to incorporate transition metal (TM) contaminants. Based on first-principles calculations, we have examined the energetic stability and the electronic properties due to the incorporation...