Surface Curvature Effect on Dual-Atom Site Oxygen Electrocatalysis

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

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Surface Curvature Effect on Dual-Atom Site Oxygen Electrocatalysis. / Cepitis, Ritums; Kongi, Nadezda; Rossmeisl, Jan; Ivaništšev, Vladislav.

In: ACS Energy Letters, Vol. 8, No. 3, 2023, p. 1330-1335.

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

Harvard

Cepitis, R, Kongi, N, Rossmeisl, J & Ivaništšev, V 2023, 'Surface Curvature Effect on Dual-Atom Site Oxygen Electrocatalysis', ACS Energy Letters, vol. 8, no. 3, pp. 1330-1335. https://doi.org/10.1021/acsenergylett.3c00068

APA

Cepitis, R., Kongi, N., Rossmeisl, J., & Ivaništšev, V. (2023). Surface Curvature Effect on Dual-Atom Site Oxygen Electrocatalysis. ACS Energy Letters, 8(3), 1330-1335. https://doi.org/10.1021/acsenergylett.3c00068

Vancouver

Cepitis R, Kongi N, Rossmeisl J, Ivaništšev V. Surface Curvature Effect on Dual-Atom Site Oxygen Electrocatalysis. ACS Energy Letters. 2023;8(3):1330-1335. https://doi.org/10.1021/acsenergylett.3c00068

Author

Cepitis, Ritums ; Kongi, Nadezda ; Rossmeisl, Jan ; Ivaništšev, Vladislav. / Surface Curvature Effect on Dual-Atom Site Oxygen Electrocatalysis. In: ACS Energy Letters. 2023 ; Vol. 8, No. 3. pp. 1330-1335.

Bibtex

@article{80d7bfdeffcd48edaff4d8606539c6b5,

title = "Surface Curvature Effect on Dual-Atom Site Oxygen Electrocatalysis",

abstract = "Improved oxygen electrocatalysis is crucial for the ever-growing energy demand. Metal-nitrogen-carbon (M-N-C) materials are promising candidates for catalysts. Their activity is tunable via varying electronic and geometric properties, such as porosity. Because of the difficulty in modeling porosity, M-N-Cs with variable surface curvature remained largely unexplored. In this work, we developed a realistic in-pore dual-atom site M-N-C model and applied density functional theory to investigate the surface curvature effect on oxygen reduction and evolution reactions. We show that surface curving tailors both scaling relations and energy barriers. Thus, we predict that adjusting the surface curvature can improve the catalytic activity toward mono- and bifunctional oxygen electrocatalysis.",

author = "Ritums Cepitis and Nadezda Kongi and Jan Rossmeisl and Vladislav Ivani{\v s}t{\v s}ev",

note = "Publisher Copyright: {\textcopyright} 2023 The Authors. Published by American Chemical Society.",

year = "2023",

doi = "10.1021/acsenergylett.3c00068",

language = "English",

volume = "8",

pages = "1330--1335",

journal = "ACS Energy Letters",

issn = "2380-8195",

publisher = "American Chemical Society",

number = "3",

}

RIS

TY - JOUR

T1 - Surface Curvature Effect on Dual-Atom Site Oxygen Electrocatalysis

AU - Cepitis, Ritums

AU - Kongi, Nadezda

AU - Rossmeisl, Jan

AU - Ivaništšev, Vladislav

PY - 2023

Y1 - 2023

N2 - Improved oxygen electrocatalysis is crucial for the ever-growing energy demand. Metal-nitrogen-carbon (M-N-C) materials are promising candidates for catalysts. Their activity is tunable via varying electronic and geometric properties, such as porosity. Because of the difficulty in modeling porosity, M-N-Cs with variable surface curvature remained largely unexplored. In this work, we developed a realistic in-pore dual-atom site M-N-C model and applied density functional theory to investigate the surface curvature effect on oxygen reduction and evolution reactions. We show that surface curving tailors both scaling relations and energy barriers. Thus, we predict that adjusting the surface curvature can improve the catalytic activity toward mono- and bifunctional oxygen electrocatalysis.

AB - Improved oxygen electrocatalysis is crucial for the ever-growing energy demand. Metal-nitrogen-carbon (M-N-C) materials are promising candidates for catalysts. Their activity is tunable via varying electronic and geometric properties, such as porosity. Because of the difficulty in modeling porosity, M-N-Cs with variable surface curvature remained largely unexplored. In this work, we developed a realistic in-pore dual-atom site M-N-C model and applied density functional theory to investigate the surface curvature effect on oxygen reduction and evolution reactions. We show that surface curving tailors both scaling relations and energy barriers. Thus, we predict that adjusting the surface curvature can improve the catalytic activity toward mono- and bifunctional oxygen electrocatalysis.

U2 - 10.1021/acsenergylett.3c00068

DO - 10.1021/acsenergylett.3c00068

M3 - Letter

C2 - 36937790

AN - SCOPUS:85147819506

VL - 8

SP - 1330

EP - 1335

JO - ACS Energy Letters

JF - ACS Energy Letters

SN - 2380-8195

IS - 3

ER -

ID: 340843986

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