Charge localization and hopping in a topologically engineered graphene nanoribbon

Autor: Marcelo Lopes Pereira Júnior, Pedro Henrique de Oliveira Neto, Demétrio Antônio da Silva Filho, Leonardo Evaristo de Sousa, Geraldo Magela e Silva, Luiz Antônio Ribeiro Júnior

Publikováno v: Scientific Reports, Vol 11, Iss 1, Pp 1-9 (2021)

Abstract Graphene nanoribbons (GNRs) are promising quasi-one-dimensional materials with various technological applications. Recently, methods that allowed for the control of GNR’s topology have been developed, resulting in connected nanoribbons com

Externí odkaz: https://doaj.org/article/80550517a83d4a85bbc4eeab06198c20

Theoretical Investigation on H2O2-Ng (He, Ne, Ar, Kr, Xe, and Rn) Complexes Suitable for Stereodynamics: Interactions and Thermal Chiral Rate Consequences

Autor: Yuri Alves de Oliveira Só, Pedro Henrique de Oliveira Neto, Luiz Guilherme Machado de Macedo, Ricardo Gargano

Publikováno v: Frontiers in Chemistry, Vol 6 (2019)

Although molecular collisions of noble gases (Ng) can be theoretically used to distinguish between the enantiomers of hydrogen peroxide - H2O2 (HP), little is known about the effects of HP-Ng interactions on the chiral rate. In this work, the chiral

Externí odkaz: https://doaj.org/article/1cd4c91a1ea940c5a7762ddb33e9ccec

Electronic and vibrational contributions to the reorganization energy of photosynthetic pigments

Autor: Tiago de Sousa Araújo Cassiano, Leonardo Evaristo de Sousa, Ricardo Gargano, Pedro Henrique de Oliveira Neto

Publikováno v: Cassiano, T D S A, de Sousa, L E, Gargano, R & Neto, P H D O 2023, ' Electronic and vibrational contributions to the reorganization energy of photosynthetic pigments ', Chemical Physics Letters, vol. 815, 140384 . https://doi.org/10.1016/j.cplett.2023.140384

Charge transport is dependent on properties such as reorganization energy (λ) and free energy. These quantities are typically estimated applying density functional theory (DFT) to optimized geometries. However, most pigments in photosynthesis are co

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2238c45a8fce21ffa2d9e8019a09126b
https://orbit.dtu.dk/en/publications/f7fbac72-bfbd-444f-977e-c0b6dca150fb

O PÓ REVELADOR E O SEU PROCESSO DE ADESÃO AOS RESQUÍCIOS PRESENTES NAS IMPRESSÕES PAPILARES LATENTES

Autor: Wiliam Ferreira da Cunha, Bernardo José Munhoz Lobo, Pedro Henrique de Oliveira Neto, Daniel Da Silva Carvalho

Publikováno v: Revista Brasileira de Ciências Policiais, Vol 12, Iss 4, Pp 323-358 (2021)

O presente estudo se propõe a detalhar os aspectos técnico-científicos relacionados a alguns dos fatores que influenciam o processo de adesão do pó revelador aos resquícios presentes nas impressões papilares latentes. Também serão apresentad

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ccfce58d96fffd47a0d270f37d0cb451
https://doi.org/10.31412/rbcp.v12i4.751

Quasiparticle dynamics by effective $$\pi $$-field distortion

Autor: Tiago de Sousa Araújo Cassiano, Pedro Henrique de Oliveira Neto, Geraldo Magela e Silva

Publikováno v: Scientific Reports. 12

Modeling dynamical processes of quasiparticles in low dimensional $$\pi $$ π -conjugated systems is challenging due to electron-phonon coupling. We show that this interaction leads to linear potential energy terms in the lattice Lagrangian similar t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::969b9f8f488791020af47b9fb7236c7c
https://doi.org/10.1038/s41598-022-11832-2