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Flexible and Efficient Semi-Empirical DFTB Parameters for Electronic Structure Prediction of 3D, 2D Iodide Perovskites and Heterostructures

Autor: Jiang, Junke, van der Heide, Tammo, Thébaud, Simon, Lien-Medrano, Carlos Raúl, Fihey, Arnaud, Pedesseau, Laurent, Quarti, Claudio, Zacharias, Marios, Volonakis, George, Kepenekian, Mikael, Aradi, Bálint, Sentef, Michael A., Even, Jacky, Katan, Claudine

Density Functional Tight-Binding (DFTB), an approximative approach derived from Density Functional Theory (DFT), has the potential to pave the way for simulations of large periodic or non-periodic systems. We have specifically tailored DFTB parameter

Externí odkaz: http://arxiv.org/abs/2412.07016

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Akademický článek

Evidências de validade da Escala de Reserva Cognitiva em adultos idosos

Autor: Luis Henrique Paloski, Carmen Moret-Tatay, Tatiana Quarti Irigaray, Camila Rosa de Oliveira

Publikováno v: Avaliação Psicológica, Vol 22, Iss 4, Pp 413-419 (2024)

RESUMO O objetivo do estudo foi investigar evidências de validade da Escala de Reserva Cognitiva (ERC) em uma amostra de adultos idosos brasileiros. Participaram 206 adultos idosos que responderam, além da ERC, a uma ficha de dados sociodemográfic

Externí odkaz: https://doaj.org/article/22718942d7954cbdade55ff7b96b670f

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Akademický článek

Orienteering and hiking programs for older adults as a model of healthy aging: a randomized clinical trial

Autor: Clarissa Biehl Printes, Tatiana Quarti Irigaray, José Otávio Franco Dornelles, Rafael Reimann Baptista

Publikováno v: Geriatrics, Gerontology and Aging, Vol 18, Pp 1-10 (2024)

Objectives: To compare the effects of orienteering vs hiking on the physical fitness and quality of life of older adults. Methods: A 24-week randomized controlled trial was conducted with 96 participants who were assigned to orienteering (OG), hiking

Externí odkaz: https://doaj.org/article/fd1602aff2fc494f8fb68bb77b713044

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Exciton ground state fine structure and excited states landscape in layered halide perovskites from combined BSE simulations and symmetry analysis

Autor: Quarti, Claudio, Giorgi, Giacomo, Katan, Claudine, Even, Jacky, Palummo, Maurizia

Layered halide perovskites are solution-processed natural heterostructures where quantum and dielectric confinement effects down to the nanoscale strongly influence the optical properties, leading to stabilization of bound excitons. Achieving a detai

Externí odkaz: http://arxiv.org/abs/2212.04260

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Direct visualization of ultrafast lattice ordering triggered by an electron-hole plasma in 2D perovskites

Direct visualization of ultrafast coupling between charge carriers and lattice degrees of freedom in photo-excited semiconductors has remained a long-standing challenge and is critical for understanding the light-induced physical behavior of material

Externí odkaz: http://arxiv.org/abs/2204.01145

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Akademický článek

Spin relaxation of electron and hole polarons in ambipolar conjugated polymers

Autor: Remington L. Carey, Samuele Giannini, Sam Schott, Vincent Lemaur, Mingfei Xiao, Suryoday Prodhan, Linjun Wang, Michelangelo Bovoloni, Claudio Quarti, David Beljonne, Henning Sirringhaus

Publikováno v: Nature Communications, Vol 15, Iss 1, Pp 1-12 (2024)

Abstract The charge-transport properties of conjugated polymers have been studied extensively for opto-electronic device applications. Some polymer semiconductors not only support the ambipolar transport of electrons and holes, but do so with compara

Externí odkaz: https://doaj.org/article/efc95d7b6a1b4d5198c5a3aa70e69c3d

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