Promotion of alkaline hydrogen production via Ni-doping of atomically precise Ag nanoclusters

Yongsung Jo; Minji Choi; Minseok Kim; Jong Suk Yoo; Woojun Choi; Dongil Lee

doi:10.1002/bkcs.12404

Promotion of alkaline hydrogen production via Ni-doping of atomically precise Ag nanoclusters

Yongsung Jo, Minji Choi, Minseok Kim, Jong Suk Yoo, Woojun Choi, Dongil Lee

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

Abstract

Alloy catalysts are widely used in electrocatalytic hydrogen production because of the synergistic effect produced by constituent metals. However, an atomic-level understanding of the alloy effect remains elusive because of their polydispersity. In this study, we investigated the effects of an atomically precise Ag₂₅ nanocluster catalyst doped with a single Ni atom in an alkaline electrolyte on the hydrogen evolution reaction (HER). The synthesized NiAg₂₄ nanoclusters exhibited significantly altered electronic structures and reduction potentials, leading to substantially reduced overpotentials and enhanced HER activity. Tafel analysis revealed that Ni doping drastically improved the sluggish Volmer step. Density functional theory studies further revealed that the hydrogen adsorption energy was substantially reduced upon Ni doping, which accounted for the enhanced HER activity observed for the NiAg₂₄ nanoclusters.

Original language	English
Pages (from-to)	1672-1677
Number of pages	6
Journal	Bulletin of the Korean Chemical Society
Volume	42
Issue number	12
DOIs	https://doi.org/10.1002/bkcs.12404
Publication status	Published - 2021 Dec

Bibliographical note

Funding Information:
This work was supported by the Carbon-to-X Project (No. 2020M3H7A1096344 and 2021M3H7A1026177) through the National Research Foundation (NRF) of Korea funded by the Ministry of Science and ICT, Republic of Korea, the NRF grants (NRF-2017R1A2B3006651 and NRF-2021R1F1A1061984). DFT calculations were performed using the computational resources of the Korea Institute of Science and Technology Information (KSC-2021-CRE-0101).

Funding Information:
This work was supported by the Carbon‐to‐X Project (No. 2020M3H7A1096344 and 2021M3H7A1026177) through the National Research Foundation (NRF) of Korea funded by the Ministry of Science and ICT, Republic of Korea, the NRF grants (NRF‐2017R1A2B3006651 and NRF‐2021R1F1A1061984). DFT calculations were performed using the computational resources of the Korea Institute of Science and Technology Information (KSC‐2021‐CRE‐0101).

Publisher Copyright:
© 2021 Korean Chemical Society, Seoul & Wiley-VCH GmbH

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Chemistry(all)

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10.1002/bkcs.12404

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title = "Promotion of alkaline hydrogen production via Ni-doping of atomically precise Ag nanoclusters",

abstract = "Alloy catalysts are widely used in electrocatalytic hydrogen production because of the synergistic effect produced by constituent metals. However, an atomic-level understanding of the alloy effect remains elusive because of their polydispersity. In this study, we investigated the effects of an atomically precise Ag25 nanocluster catalyst doped with a single Ni atom in an alkaline electrolyte on the hydrogen evolution reaction (HER). The synthesized NiAg24 nanoclusters exhibited significantly altered electronic structures and reduction potentials, leading to substantially reduced overpotentials and enhanced HER activity. Tafel analysis revealed that Ni doping drastically improved the sluggish Volmer step. Density functional theory studies further revealed that the hydrogen adsorption energy was substantially reduced upon Ni doping, which accounted for the enhanced HER activity observed for the NiAg24 nanoclusters.",

author = "Yongsung Jo and Minji Choi and Minseok Kim and Yoo, {Jong Suk} and Woojun Choi and Dongil Lee",

note = "Funding Information: This work was supported by the Carbon-to-X Project (No. 2020M3H7A1096344 and 2021M3H7A1026177) through the National Research Foundation (NRF) of Korea funded by the Ministry of Science and ICT, Republic of Korea, the NRF grants (NRF-2017R1A2B3006651 and NRF-2021R1F1A1061984). DFT calculations were performed using the computational resources of the Korea Institute of Science and Technology Information (KSC-2021-CRE-0101). Funding Information: This work was supported by the Carbon‐to‐X Project (No. 2020M3H7A1096344 and 2021M3H7A1026177) through the National Research Foundation (NRF) of Korea funded by the Ministry of Science and ICT, Republic of Korea, the NRF grants (NRF‐2017R1A2B3006651 and NRF‐2021R1F1A1061984). DFT calculations were performed using the computational resources of the Korea Institute of Science and Technology Information (KSC‐2021‐CRE‐0101). Publisher Copyright: {\textcopyright} 2021 Korean Chemical Society, Seoul & Wiley-VCH GmbH",

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language = "English",

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AU - Choi, Minji

AU - Kim, Minseok

AU - Yoo, Jong Suk

AU - Choi, Woojun

AU - Lee, Dongil

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PY - 2021/12

Y1 - 2021/12

N2 - Alloy catalysts are widely used in electrocatalytic hydrogen production because of the synergistic effect produced by constituent metals. However, an atomic-level understanding of the alloy effect remains elusive because of their polydispersity. In this study, we investigated the effects of an atomically precise Ag25 nanocluster catalyst doped with a single Ni atom in an alkaline electrolyte on the hydrogen evolution reaction (HER). The synthesized NiAg24 nanoclusters exhibited significantly altered electronic structures and reduction potentials, leading to substantially reduced overpotentials and enhanced HER activity. Tafel analysis revealed that Ni doping drastically improved the sluggish Volmer step. Density functional theory studies further revealed that the hydrogen adsorption energy was substantially reduced upon Ni doping, which accounted for the enhanced HER activity observed for the NiAg24 nanoclusters.

AB - Alloy catalysts are widely used in electrocatalytic hydrogen production because of the synergistic effect produced by constituent metals. However, an atomic-level understanding of the alloy effect remains elusive because of their polydispersity. In this study, we investigated the effects of an atomically precise Ag25 nanocluster catalyst doped with a single Ni atom in an alkaline electrolyte on the hydrogen evolution reaction (HER). The synthesized NiAg24 nanoclusters exhibited significantly altered electronic structures and reduction potentials, leading to substantially reduced overpotentials and enhanced HER activity. Tafel analysis revealed that Ni doping drastically improved the sluggish Volmer step. Density functional theory studies further revealed that the hydrogen adsorption energy was substantially reduced upon Ni doping, which accounted for the enhanced HER activity observed for the NiAg24 nanoclusters.

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Promotion of alkaline hydrogen production via Ni-doping of atomically precise Ag nanoclusters

Abstract

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