Selaus avainsanan mukaan kokoelmassa "Density Functional Theory"Tieteelliset julkaisut

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    • Optical properties of Bacteriorhodopsin-Gold Bionano Interfaces 

      Das, Subhabrata; Asmara, Teguh Citra; Patra, Abhirup; Song, Zhaoning; Bista, Sandip Singh; Somasundaran, Ponisseril; Rusydi, Andrivo; Barbiellini, Bernardo; Venkatesan, Renugopalakrishnan (American Chemical Society, 18.10.2019)
      Monolayers of different mutants of bacteriorhodopsin (bR) with purple membranes are deposited on gold (Au) substrates. Optical measurements and density functional theory-based electronic structure calculations are reported ...

    • Tomographic reconstruction of oxygen orbitals in lithium-rich battery materials 

      Hafiz, Hasnain; Suzuki, Kosuke; Barbiellini, Bernardo; Tsuji, Naruki; Yabuuchi, Naoaki; Yamamoto, Kentaro; Orikasa, Yuki; Uchimoto, Yoshiharu; Sakurai, Yoshiharu; Sakurai, Hiroshi; Bansil, Arun; Viswanathan, Venkatasubramanian (Springer Nature, 09.06.2021)
      The electrification of heavy-duty transport and aviation will require new strategies to increase the energy density of electrode materials. The use of anionic redox represents one possible approach to meeting this ambitious ...