The Role of Cation-Vacancies for the Electronic and Optical Properties of Aluminosilicate Imogolite Nanotubes: A Non-local, Linear-Response TDDFT Study

by Emiliano Poli, Joshua D. Elliott, Joshua D. Elliott, Joshua D. Elliott, Sergey K. Chulkov, Matthew B. Watkins, Gilberto Teobaldi, Gilberto Teobaldi, Gilberto Teobaldi
Published 2019-04-01

Termination Effects in Aluminosilicate and Aluminogermanate Imogolite Nanotubes: A Density Functional Theory Study

by Emiliano Poli, Joshua D. Elliott, Ziwei Chai, Gilberto Teobaldi
Published 2020-11-01

The role of isotropic and anisotropic Hubbard corrections for the magnetic ordering and absolute band alignment of hematite α-Fe2O3(0001) surfaces

by Sateesh Bandaru, Ivan Scivetti, Chi-Yung Yam, Gilberto Teobaldi
Published 2019-06-01

Effect of crystal field on the formation and diffusion of oxygen vacancy at anatase (101) surface and sub-surface

by Wenjin Yin, Bo Wen, Qingxia Ge, Xiaolin Wei, Gilberto Teobaldi, Limin Liu
Published 2020-02-01

Structural resolution of inorganic nanotubes with complex stoichiometry

by Geoffrey Monet, Mohamed S. Amara, Stéphan Rouzière, Erwan Paineau, Ziwei Chai, Joshua D. Elliott, Emiliano Poli, Li-Min Liu, Gilberto Teobaldi, Pascale Launois
Published 2018-05-01