QFA_Articles: Envíos recientes

Mostrando ítems 21-25 de 825

    • closedAccess   Vibrational Raman modes of alamosite (PbSiO3): Combining density functional theory calculations and in situ temperature experiments 

      Bartz Pena, Rafaella; Cunha, T. R.; Gomes, E. O.; Sampaio, D. V.; De Giovanni Rodrigues, Ariano; Andres, Juan; Pizani, Paulo Sergio Wiley (2023-10-09)
      Raman vibrational modes, temperature wavenumber coefficients, and isobaric-mode Grüneisen parameters of the monoclinic alamosite (PbSiO3) have beenpioneeringly characterized by combining density functional theory ...

    • closedAccess   A Tale of Reactive Oxygen Species on the Ag3PO4(110) Surface 

      Lipsky, Felipe; da Silveira Lacerda, Luis Henrique; Gracia, Lourdes; G Foschiani, Beatriz; Assis, Marcelo de; Oliva, Mónica; Longo, Elson; Andres, Juan; San-Miguel, Miguel A. American Chemical Society (2023-12-07)
      Herein, we report a study of Ag3PO4 microcrystals in the accomplishment of their enhanced degradation process and bactericidal activity. Based on experimental results and density functional theory free energy profiles, we ...

    • closedAccess   Electronic Structure and Optical Spectrum of Thick HgTe Colloidal Nanoplatelets 

      Climente, Juan I.; Szafran, Bartłomiej American Chemical Society (2023-10-18)
      The electronic structure and optical transitions of HgTe nanoplatelets (NPLs) are calculated by means of an 8-band k·p Hamiltonian. We show that, for NPL thickness between the limits of strong confinement (∼1 nm) and that ...

    • openAccess   Present and future of metabolic and metabolomics studies focused on classical psychedelics in humans 

      Madrid-Gambin, Francisco; Fabregat-Safont, David; Gomez-Gomez, Alex; Olesti, Eulàlia; Mason, Natasha; Ramaekers, Johannes; Pozo, Oscar Elsevier (2023-12-31)
      Psychedelics are classical hallucinogen drugs that induce a marked altered state of consciousness. In recent years, there has been renewed attention to the possible use of classical psychedelics for the treatment of certain ...

    • openAccess   Spirulina application in food packaging: Gaps of knowledge and future trends 

      Nakamoto, Monica Masako; Assis, Marcelo de; Gonçalves de Oliveira Filho, Josemar; Braga, Anna Elsevier (2023-02)
      Background: Conventional plastics have been widely applied in the food industry as packaging material because of their attractive characteristics, such as great mechanical resistance and moldability, as well as their ...