Zobrazeno 1 - 4
of 4
pro vyhledávání: '"R. E. Menchón"'
Publikováno v:
Condensed Matter Physics, Vol 25, Iss 4, p 43709 (2022)
We develop a shell model (SM) for potassium dihydrogen phosphate (KDP) which is fitted to ab initio (AI) results that include nonlocal van der Waals corrections. The SM is comprehensively tested by comparing results of structural, vibrational and fer
Externí odkaz:
https://doaj.org/article/f8a8df6f341442e0acfaf7c1575558f8
Autor:
Vilas‐Varela, Manuel1 (AUTHOR), Romero‐Lara, Francisco2 (AUTHOR), Vegliante, Alessio2 (AUTHOR), Calupitan, Jan Patrick3,4 (AUTHOR), Martínez, Adrián1 (AUTHOR), Meyer, Lorenz2 (AUTHOR), Uriarte‐Amiano, Unai2 (AUTHOR), Friedrich, Niklas2 (AUTHOR), Wang, Dongfei2 (AUTHOR), Schulz, Fabian2 (AUTHOR), Koval, Natalia E.2 (AUTHOR), Sandoval‐Salinas, María E.5 (AUTHOR), Casanova, David4,6 (AUTHOR), Corso, Martina3 (AUTHOR), Artacho, Emilio2,6,7 (AUTHOR), Peña, Diego1 (AUTHOR) diego.pena@usc.es, Pascual, José Ignacio2,6 (AUTHOR) ji.pascual@nanogune.eu
Publikováno v:
Angewandte Chemie. 10/9/2023, Vol. 135 Issue 41, p1-8. 8p.
Autor:
Friedrich N; CIC nanoGUNE-BRTA, Donostia-San Sebastián, 20018, Spain., Li J; CIC nanoGUNE-BRTA, Donostia-San Sebastián, 20018, Spain.; School of Physics, Sun Yat-sen University, Guangzhou, 510275, China., Pozo I; Centro Singular de Investigación en Química Biolóxica e Materiais Moleculares (CiQUS) and Departamento de Química Orgánica Universidade de Santiago de Compostela, Santiago de Compostela, 15782, Spain., Peña D; Centro Singular de Investigación en Química Biolóxica e Materiais Moleculares (CiQUS) and Departamento de Química Orgánica Universidade de Santiago de Compostela, Santiago de Compostela, 15782, Spain., Pascual JI; CIC nanoGUNE-BRTA, Donostia-San Sebastián, 20018, Spain.; Ikerbasque, Basque Foundation for Science, Bilbao, 48013, Spain.
Publikováno v:
Advanced materials (Deerfield Beach, Fla.) [Adv Mater] 2024 Jul; Vol. 36 (27), pp. e2401955. Date of Electronic Publication: 2024 Apr 28.
Autor:
Jacobse PH; Department of Physics, University of California, Berkeley, Berkeley, CA, 94720, USA., Sarker M; Department of Chemistry, University of Nebraska, Lincoln, NE, 68588, USA.; Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, Lincoln, NE, 68588, USA., Saxena A; Walker Department of Mechanical Engineering, University of Texas, Austin, TX, 78712, USA.; Oden Institute for Computational Engineering and Sciences, University of Texas at Austin, Austin, TX, 78712, USA., Zahl P; Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton, NY, 11973, USA., Wang Z; Department of Physics, University of California, Berkeley, Berkeley, CA, 94720, USA.; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, 94720, USA.; Kavli Energy NanoSciences Institute at the University of California Berkeley and the Lawrence Berkeley National Laboratory, Berkeley, CA, 94720, USA., Berger E; Department of Physics, University of California, Berkeley, Berkeley, CA, 94720, USA., Aluru NR; Walker Department of Mechanical Engineering, University of Texas, Austin, TX, 78712, USA.; Oden Institute for Computational Engineering and Sciences, University of Texas at Austin, Austin, TX, 78712, USA., Sinitskii A; Department of Chemistry, University of Nebraska, Lincoln, NE, 68588, USA.; Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, Lincoln, NE, 68588, USA., Crommie MF; Department of Physics, University of California, Berkeley, Berkeley, CA, 94720, USA.; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, 94720, USA.; Kavli Energy NanoSciences Institute at the University of California Berkeley and the Lawrence Berkeley National Laboratory, Berkeley, CA, 94720, USA.
Publikováno v:
Small (Weinheim an der Bergstrasse, Germany) [Small] 2024 Jul; Vol. 20 (30), pp. e2400473. Date of Electronic Publication: 2024 Feb 27.