Selaus tekijän mukaan kokoelmassa "Barbiellini, Bernardo"Tieteelliset julkaisut

Aineistot 1-11 / 11

    • Atomic structure of an FeCrMoCBY metallic glass revealed by high energy x-ray diffraction 

      Pussi, Katariina; Louzguine-Luzgin, Dmitri; Nokelainen, Johannes; Barbiellini, Bernardo; Kothalawala, Veenavee; Ohara, Koji; Yamada, Hiroki; Bansil, Arun; Kamali, Saeed (IOP Publishing, 12.05.2022)
      Amorphous bulk metallic glasses with the composition Fe48Cr15Mo14C15B6Y2 have been of interest due to their special mechanical and electronic properties, including corrosion resistance, high yield-strength, large elasticity, ...

    • Bacteriorhodopsin Enhances Efficiency of Perovskite Solar Cells 

      Das, Subhabrata; Wu, Congcong; Song, Zhaoning; Hou, Yuchen; Koch, Rainer; Somasundaran, Ponisseril; Priya, Shashank; Barbiellini, Bernardo; Venkatesan, Renugopalakrishnan (American Chemical Society, 23.07.2019)
      Recently, halide perovskites have upstaged decades of solar cell development by reaching power conversion efficiencies that surpass the performance of polycrystalline silicon. The efficiency improvement in the perovskite ...

    • Correlation effects in the ground state of Ni-(Co)-Mn-Sn Heusler compounds 

      Barbiellini, Bernardo; Pulkkinen, Aki; Nokelainen, Johannes; Buchelnikov, Vasiliy; Sokolovskiy, Vladimir; Miroshkina, Olga N.; Zagrebin, Mikhail; Pussi, Katariina; Lähderanta, Erkki; Granovsky, Alexander (Materials Research Society, 19.02.2019)
      We present density functional theory calculations to study the interplay between magnetic and structural properties in Ni-Co-Mn-Sn. The relative stability of austenite (cubic) and martensite (tetragonal) phases depends ...

    • Design of a Stable Heusler Alloy with Switchable Metal-to-Half-Metal Transition at Finite Temperature 

      Buchelnikov, Vasiliy D.; Sokolovskiy, Vladimir V.; Miroshkina, Olga N.; Baigutlin, Danil R.; Zagrebin, Mikhail A.; Barbiellini, Bernardo; Singh, Bahadur; Bansil, Arun; Lähderanta, Erkki (Wiley, 04.10.2021)
      The electronic structure and metallicity of Si-doped Mn2VGe Heusler alloys within the first-principles density-functional theory framework are discussed. Mn2VGe is found to assume two stable structures at (cubic) lattice ...

    • Evidence for spin swapping in an antiferromagnet 

      Lin, Weiwei; He, Jiaming; Ma, Bowen; Matzelle, Matthew; Xu, Jinsong; Freeland, John; Choi, Yongseong; Haskel, Daniel; Barbiellini, Bernardo; Bansil, Arun; Fiete, Gregory A.; Zhou, Jianshi; Chien, C. L. (Springer Nature, 16.05.2022)
      Antiferromagnetic insulators offer strategic advantages in spintronic applications because of their negligible stray fields and ultrafast magnetic dynamics. Control of their magnetization and readout of their magnetic state ...

    • Helical spin ordering in room-temperature metallic antiferromagnet Fe3Ga4 

      Wilfong, Brandon; Fedorko, Adrian; Baigutlin, Danil R.; Miroshkina, Olga N.; Zhou, Xiuquan; Stephen, Gregory M.; Friedman, Adam L.; Sharma, Vaibhav; Bishop, Omar; Barua, Radhika; Bennett, Steven P.; Chung, Duck Young; Kanatzidis, Mercouri G.; Buchelnikov, Vasiliy D.; Sokolovskiy, Vladimir V.; Barbiellini, Bernardo; Bansil, Arun; Heiman, Don; Jamer, Michelle E. (Elsevier, 20.05.2022)
      Metallic Fe3Ga4 displays a complex magnetic phase diagram that supports an intermediate antiferromagnetic (AFM) helical spin structure (HSS) state at room temperature which lies between two ferromagnetic (FM) phases. ...

    • Identification of a Robust and Durable FeN4Cx Catalyst for ORR in PEM Fuel Cells and the Role of the Fifth Ligand 

      Nematollahi, Parisa; Barbiellini, Bernardo; Bansil, Arun; Lamoen, Dirk; Qingying, Jia; Mukerjee, Sanjeev; Neyts, Erik C. (American Chemical Society, 10.06.2022)
      Although recent studies have advanced the understanding of pyrolyzed Fe–N–C materials as oxygen reduction reaction (ORR) catalysts, the atomic and electronic structures of the active sites and their detailed reaction ...

    • 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 ...

    • Structural properties of PbTe quantum dots revealed by high-energy x-ray diffraction 

      Pussi, Katariina; Barbiellini, Bernardo; Ohara, Koji; Carbó-Argibay, Enrique; Kolen'ko, Yuri V.; Bansil, Arun; Kamali, Saeed (IOP Publishing, 29.07.2020)
      High-energy X-ray diffraction (HE-XRD) experiments combined with an analysisbased on atomic-pair-distribution functions can be an effective tool for probing low-dimensional materials. Here, we show how such an analysis can ...

    • Synthesis and Properties of Au Hydride 

      Sil, Devika; Lane, Christopher; Glor, Ethan; Gilroy, Kyle D.; Sylla, Safiya; Barbiellini, Bernardo; Markievicz, Robert; Hajfathalian, Maryam; Neretina, Svetlana; Bansil, Arun; Fakhraari, Zahra; Borguet, Eric (John Wiley & Sons, Inc., 15.04.2019)
      The generation of chemical species from gases, noble metals and light interacting with localized surface plasmons represents a new paradigm for achieving low energy sustainable reaction pathways. Here, we demonstrate that ...

    • 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 ...