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Graphene-covered transition metal halide molecules as efficient and durable electrocatalysts for oxygen reduction and evolution reactions
Author Manuscript version of an article designing a new type of electrocatalysts consisting of transition metal halide molecules covered by graphene sheets. This work provides a theoretical base for rationally designing durable electrocatalysts with excellent catalytic activities.
Date:
September 26, 2019
Creator:
Xia, Zhenhai; Zhang, Detao; Zhang, Jing; Gong, Lele; Zhu, Yonghao & Zhang, Lipeng
System:
The UNT Digital Library
First-principles study of diffusion and interactions of hydrogen with silicon, phosphorus, and sulfur impurities in nickel
Article systematically studying the effect of Si, P, and S impurities on the diffusion and binding of an H atom in a face-centered-cubic (FCC) Ni lattice using density functional theory (DFT),
Date:
March 26, 2019
Creator:
Paranjape, Priyanvada; Gopal, Priya & Srinivasan, S. G.
System:
The UNT Digital Library