Search Results - "Henrique de Oliveira Neto, Pedro"
-
1
Dynamics of charge quasiparticles generation in armchair graphene nanoribbons
Published in Carbon (New York) (01-06-2018)“…Graphene nanoribbons are systems that can combine intrinsic bandgap with high charge carrier mobility, playing an important role for applications such as…”
Get full text
Journal Article -
2
Strain-Tuneable Bipolaron Stability on Ultranarrow Bilayer Graphene Nanoribbon
Published in Journal of physical chemistry. C (25-01-2024)“…Van der Waals bilayer systems are promoting unparalleled advance in optoelectronics. Much of their impact resorts to the exotic quantum properties of…”
Get full text
Journal Article -
3
Charge localization and hopping in a topologically engineered graphene nanoribbon
Published in Scientific reports (04-03-2021)“…Graphene nanoribbons (GNRs) are promising quasi-one-dimensional materials with various technological applications. Recently, methods that allowed for the…”
Get full text
Journal Article -
4
Dynamical Mechanism of Polarons and Bipolarons in Poly(p-Phenylene Vinylene)
Published in Scientific reports (02-12-2019)“…Studies on Poly(p-Phenylene Vinylene) (PPV) and derivatives have experienced enormous growth since they were successfully used to fabricate the first efficient…”
Get full text
Journal Article -
5
Theoretical Investigation on H2O2-Ng (He, Ne, Ar, Kr, Xe, and Rn) Complexes Suitable for Stereodynamics: Interactions and Thermal Chiral Rate Consequences
Published in Frontiers in chemistry (18-01-2019)“…Although molecular collisions of noble gases (Ng) can be theoretically used to distinguish between the enantiomers of hydrogen peroxide - H 2 O 2 (HP), little…”
Get full text
Journal Article -
6
Electronic and vibrational contributions to the reorganization energy of photosynthetic pigments
Published in Chemical physics letters (16-03-2023)“…Charge transport is dependent on properties such as reorganization energy (λ) and free energy. These quantities are typically estimated applying density…”
Get full text
Journal Article -
7
Quasiparticles in Graphene Nanoribbon Heterojunctions: Insights from a Simplified One-Dimensional Model
Published in Journal of physical chemistry. C (27-07-2023)“…Graphene nanoribbons (GNRs) are promising candidates for next-generation nanoelectronics because of their incredible structural versatility. They are behind…”
Get full text
Journal Article -
8
Quasiparticle dynamics by effective π-field distortion
Published in Scientific reports (13-05-2022)“…Modeling dynamical processes of quasiparticles in low dimensional π -conjugated systems is challenging due to electron-phonon coupling. We show that this…”
Get full text
Journal Article -
9
Ultrafast direct generation of quasiparticles in graphene nanoribbons
Published in Carbon (New York) (01-03-2020)“…The problem of charge generation at short time scales in organic materials is of crucial importance for optoelectronics. Excluding controversial…”
Get full text
Journal Article -
10
Choice of Solubilizing Group Is Determinant for Exciton Diffusion Length in Organic Crystals
Published in Journal of physical chemistry. C (12-03-2020)“…Efficient exciton diffusion is a necessary feature for light-harvesting systems in high-performance organic photovoltaic devices. In this work, a combination…”
Get full text
Journal Article -
11
Charge transport in cove-type graphene nanoribbons: The role of quasiparticles
Published in Synthetic metals (01-07-2022)“…Previous reports indicate that cove-type graphene nanoribbons (CGNR) may present high intrinsic charge mobility of almost 15,000 cm2/Vs. Still, with…”
Get full text
Journal Article -
12
Smooth gap tuning strategy for cove-type graphene nanoribbons
Published in RSC advances (20-07-2020)“…Graphene is a carbon-based material with an extensive range of promising properties. Since it does not present a bandgap, graphene is not suitable for…”
Get full text
Journal Article -
13
Spin-selective transport in edge-passivated zigzag magnesium dichloride nanoribbons: Towards bipolar spin diode and spin rectification devices
Published in Materials today communications (01-03-2024)“…In the present work, we investigate the electronic, magnetic, and spin transport properties of zigzag MgCl2 (ZMgCl2) nanoribbons with different types of edge…”
Get full text
Journal Article -
14
Role of Exciton Density in Organic Materials: Diffusion Length, Lifetime, and Quantum Efficiency
Published in Chemistry of materials (10-09-2019)“…Exciton dynamics are of pivotal importance in the working of organic electronic devices. Under conditions under which efficient exciton diffusion is combined…”
Get full text
Journal Article -
15
Electronic and dynamical properties of non-covalent diatomic aggregates formed by He with neutral and ionic Li and Be
Published in Journal of molecular modeling (01-06-2023)“…Context and results This work aims to study the influence of the absence and presence of permanent charges on the electronic and dynamical properties of the…”
Get full text
Journal Article -
16
Effective Mass of Quasiparticles in Armchair Graphene Nanoribbons
Published in Scientific reports (29-11-2019)“…Armchair graphene nanoribbons (AGNRs) may present intrinsic semiconducting bandgaps, being of potential interest in developing new organic-based optoelectronic…”
Get full text
Journal Article -
17
Trap-assisted charge transport at conjugated polymer interfaces
Published in Chemical physics letters (16-01-2016)“…[Display omitted] •A trapped polaron can be released migrating between the chains at low temperature regimes.•A trapped bipolaron cannot be released even…”
Get full text
Journal Article -
18
Exciton Diffusion in Organic Nanofibers: A Monte Carlo Study on the Effects of Temperature and Dimensionality
Published in Scientific reports (19-09-2018)“…Organic nanofibers have found various applications in optoelectronic devices. In such devices, exciton diffusion is a major aspect concerning their efficiency…”
Get full text
Journal Article -
19
Modelling the quenching effect of chloroaluminum phthalocyanine and graphene oxide interactions: implications for phototherapeutic applications
Published in Nanoscale advances (07-11-2023)“…Photodynamic therapy (PDT) and photothermal therapy (PTT) are promising candidates for cancer treatment and their efficiency can be further enhanced by using a…”
Get full text
Journal Article -
20
Dynamical Study of Impurity Effects on Bipolaron–Bipolaron and Bipolaron–Polaron Scattering in Conjugated Polymers
Published in The journal of physical chemistry. B (03-10-2013)“…Combining the one-dimensional tight-binding Su–Schrieffer–Heeger (SSH) model and the extended Hubbard model (EHM), the scattering of two oppositely charged…”
Get full text
Journal Article