Loading…
First-principle calculations of the electronic, vibrational, and thermodynamic properties of nitrogen-rich salt of 3,6-dinitramino-1,2,4,5-tetrazine [(NH4)2(DNAT)]
Lei, Si-Jia, Liu, Qi-Jun, Liu, Fu-Sheng, Liu, Zheng-Tang, Yuan, Wen-Shuo
Published in Journal of molecular modeling (01.09.2024)
Published in Journal of molecular modeling (01.09.2024)
Get full text
Journal Article
Loading…
Loading…
First-principle calculations of magnetic properties of Ho6(Fe, Mn)Bi2 compounds
Garcia-Adeva, Angel J., Apiñaniz, Estibaliz, Herrero, Aritz, Aseguinolaza, Ivan R., Oleaga, Alberto
Published in Rare metals (01.11.2024)
Published in Rare metals (01.11.2024)
Get full text
Journal Article
Loading…
First-principle calculations of the electronic, vibrational, and thermodynamic properties of nitrogen-rich salt of 3,6-dinitramino-1,2,4,5-tetrazine (NH4)2(DNAT)
Lei, Si-Jia, Liu, Qi-Jun, Liu, Fu-Sheng, Liu, Zheng-Tang, Yuan, Wen-Shuo
Published in Journal of molecular modeling (09.08.2024)
Published in Journal of molecular modeling (09.08.2024)
Get full text
Journal Article
Loading…
Loading…
Loading…
Observation of spatially resolved Rashba states on the surface of CH3NH3PbBr3 single crystals
Huang, Zhengjie, Vardeny, Shai R., Wang, Tonghui, Ahmad, Zeeshan, Chanana, Ashish, Vetter, Eric, Yang, Shijia, Liu, Xiaojie, Galli, Giulia, Amassian, Aram, Vardeny, Z. Valy, Sun, Dali
Published in Applied physics reviews (01.09.2021)
Published in Applied physics reviews (01.09.2021)
Get full text
Journal Article
Loading…
Loading…
Loading…
Loading…
Olivine‐Type MgMn0.5Zn0.5SiO4 Cathode for Mg‐Batteries: Experimental Studies and First Principles Calculations
Pérez‐Vicente, Carlos, Rubio, Saúl, Ruiz, Rafaela, Zuo, Wenhua, Liang, Ziteng, Yang, Yong, Ortiz, Gregorio F.
Published in Small (Weinheim an der Bergstrasse, Germany) (22.03.2023)
Published in Small (Weinheim an der Bergstrasse, Germany) (22.03.2023)
Get full text
Journal Article
Loading…
Loading…
Hydrogen evolution reaction in the hBNC/Janus MoSSe heterojunction: First-principles calculations
Tian, Lei, He, Chengyu, Peng, Min, Li, Xianrui
Published in International journal of hydrogen energy (22.03.2024)
Published in International journal of hydrogen energy (22.03.2024)
Get full text
Journal Article
Loading…
Loading…
Loading…
Olivine‐Type MgMn 0.5 Zn 0.5 SiO 4 Cathode for Mg‐Batteries: Experimental Studies and First Principles Calculations
Pérez‐Vicente, Carlos, Rubio, Saúl, Ruiz, Rafaela, Zuo, Wenhua, Liang, Ziteng, Yang, Yong, Ortiz, Gregorio F.
Published in Small (Weinheim an der Bergstrasse, Germany) (01.03.2023)
Published in Small (Weinheim an der Bergstrasse, Germany) (01.03.2023)
Get full text
Journal Article
Loading…
Atomic Description of the Interface between Silica and Alumina in Aluminosilicates through Dynamic Nuclear Polarization Surface-Enhanced NMR Spectroscopy and First-Principles Calculations
Valla, Maxence, Rossini, Aaron J, Caillot, Maxime, Chizallet, Céline, Raybaud, Pascal, Digne, Mathieu, Chaumonnot, Alexandra, Lesage, Anne, Emsley, Lyndon, van Bokhoven, Jeroen A, Copéret, Christophe
Published in Journal of the American Chemical Society (26.08.2015)
Published in Journal of the American Chemical Society (26.08.2015)
Get full text
Journal Article
Loading…
Loading…
Formation of Ag nanoparticles under electron beam irradiation: Atomistic origins from first‐principles calculations
Andrés, Juan, Gouveia, Amanda Fernandes, Gracia, Lourdes, Longo, Elson, Manzeppi Faccin, Giovani, da Silva, Edison Zacarias, Pereira, Douglas Henrique, San‐Miguel, Miguel Angel
Published in International journal of quantum chemistry (05.05.2018)
Published in International journal of quantum chemistry (05.05.2018)
Get full text
Journal Article
Loading…