Transition Metal Substitution of Hollandite α-MnO2: Enhanced Potential and Structural Stability on Lithiation from First-Principles Calculation | Zendy

Alexander B. Brady | Zendy; Killian R. Tallman | Zendy; Esther S. Takeuchi | Zendy; Amy C. Marschilok | Zendy; Kenneth J. Takeuchi | Zendy; Ping Liu | Zendy

Open Access

Transition Metal Substitution of Hollandite α-MnO₂: Enhanced Potential and Structural Stability on Lithiation from First-Principles Calculation

Author(s) -

Alexander B. Brady,

Killian R. Tallman,

Esther S. Takeuchi,

Amy C. Marschilok,

Kenneth J. Takeuchi,

Ping Liu

Publication year - 2019

Publication title -

the journal of physical chemistry c

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.401

H-Index - 289

eISSN - 1932-7455

pISSN - 1932-7447

DOI - 10.1021/acs.jpcc.9b05376

Subject(s) - hollandite , density functional theory , transition metal , manganese , materials science , structural stability , electrochemistry , octahedron , substitution (logic) , durability , metal , nanotechnology , chemical engineering , chemistry , inorganic chemistry , crystallography , computational chemistry , electrode , crystal structure , computer science , composite material , structural engineering , metallurgy , engineering , catalysis , organic chemistry , programming language

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