Olivine‐Type MgMn0.5Zn0.5SiO4 Cathode for Mg‐Batteries: Experimental Studies and First Principles Calculations

• Published in: Small (Weinheim an der Bergstrasse, Germany) Vol. 19; no. 12
• Main Authors: Pérez‐Vicente, Carlos, Rubio, Saúl, Ruiz, Rafaela, Zuo, Wenhua, Liang, Ziteng, Yang, Yong, Ortiz, Gregorio F.
• Format: Journal Article
• Language: English
• Published: Weinheim Wiley Subscription Services, Inc 22.03.2023
• Subjects: Atomic properties; batteries; Cathodes; Density functional theory; density functional theory (DFT); First principles; Magnesium; Mathematical analysis; MgMn 0.5Zn 0.5SiO 4; Nanotechnology; Olivine; silicate; Sol-gel processes; Zinc

Magnesium driven reaction in olivine‐type MgMn0.5Zn0.5SiO4 structure is subject of study by experimental tests and density functional theory (DFT) calculations. The partial replacement of Mn in Oh sites by other divalent metal such as Zn to get MgMn0.5Zn0.5SiO4 cathode is successfully developed by a...