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Quantum Mechanical Studies of Electrocatalysts for the Hydrogen and Oxygen Evolution Reactions

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서명/저자사항Quantum Mechanical Studies of Electrocatalysts for the Hydrogen and Oxygen Evolution Reactions.
개인저자Tkalych, Alexander J.
단체저자명Princeton University. Chemistry.
발행사항[S.l.]: Princeton University., 2018.
발행사항Ann Arbor: ProQuest Dissertations & Theses, 2018.
형태사항263 p.
기본자료 저록Dissertation Abstracts International 79-10B(E).
Dissertation Abstract International
ISBN9780438047167
학위논문주기Thesis (Ph.D.)--Princeton University, 2018.
일반주기 Source: Dissertation Abstracts International, Volume: 79-10(E), Section: B.
Adviser: Emily A. Carter.
요약One of the linchpins of a renewable energy future is energy storage. Despite rapid advancements being made in numerous areas, global energy storage capacity is currently only a small fraction of what is required. The enormity of the task ahead c
요약This dissertation presents research investigating properties of materials for catalyzing both the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER). In the first half of the dissertation, we study the behavior of a hybrid
요약In the second half of the dissertation, we study nickel oxyhydroxide (NiOOH) and related materials as OER catalysts. We study the structural and electronic properties of NiOOH and use these results to compare various oxygen evolution pathways on
일반주제명Computational chemistry.
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