---
_id: '14828'
abstract:
- lang: eng
text: Production of hydrogen at large scale requires development of non-noble, inexpensive,
and high-performing catalysts for constructing water-splitting devices. Herein,
we report the synthesis of Zn-doped NiO heterostructure (ZnNiO) catalysts at room
temperature via a coprecipitation method followed by drying (at 80 °C, 6 h) and
calcination at an elevated temperature of 400 °C for 5 h under three distinct
conditions, namely, air, N2, and vacuum. The vacuum-synthesized catalyst demonstrates
a low overpotential of 88 mV at −10 mA cm–2 and a small Tafel slope of 73 mV dec–1
suggesting relatively higher charge transfer kinetics for hydrogen evolution reactions
(HER) compared with the specimens synthesized under N2 or O2 atmosphere. It also
demonstrates an oxygen evolution (OER) overpotential of 260 mV at 10 mA cm–2 with
a low Tafel slope of 63 mV dec–1. In a full-cell water-splitting device, the vacuum-synthesized
ZnNiO heterostructure demonstrates a cell voltage of 1.94 V at 50 mA cm–2 and
shows remarkable stability over 24 h at a high current density of 100 mA cm–2.
It is also demonstrated in this study that Zn-doping, surface, and interface engineering
in transition-metal oxides play a crucial role in efficient electrocatalytic water
splitting. Also, the results obtained from density functional theory (DFT + U
= 0–8 eV), where U is the on-site Coulomb repulsion parameter also known as Hubbard
U, based electronic structure calculations confirm that Zn doping constructively
modifies the electronic structure, in both the valence band and the conduction
band, and found to be suitable in tailoring the carrier’s effective masses of
electrons and holes. The decrease in electron’s effective masses together with
large differences between the effective masses of electrons and holes is noticed,
which is found to be mainly responsible for achieving the best water-splitting
performance from a 9% Zn-doped NiO sample prepared under vacuum.
acknowledgement: This work was supported by the Technology Innovation Program (20011622,
Development of Battery System Applied High-Efficiency Heat Control Polymer and Part
Component) funded by the Ministry of Trade, Industry & Energy (MOTIE, Korea). Author
acknowledge to Prof. Tsunehiro Takeuchi from Toyota Technological Institute, Nagoya,
Japan for the support of computational resources.
article_processing_charge: No
article_type: original
author:
- first_name: Gundegowda Kalligowdanadoddi
full_name: Kiran, Gundegowda Kalligowdanadoddi
last_name: Kiran
- first_name: Saurabh
full_name: Singh, Saurabh
id: 12d625da-9cb3-11ed-9667-af09d37d3f0a
last_name: Singh
orcid: 0000-0003-2209-5269
- first_name: Neelima
full_name: Mahato, Neelima
last_name: Mahato
- first_name: Thupakula Venkata Madhukar
full_name: Sreekanth, Thupakula Venkata Madhukar
last_name: Sreekanth
- first_name: Gowra Raghupathy
full_name: Dillip, Gowra Raghupathy
last_name: Dillip
- first_name: Kisoo
full_name: Yoo, Kisoo
last_name: Yoo
- first_name: Jonghoon
full_name: Kim, Jonghoon
last_name: Kim
citation:
ama: Kiran GK, Singh S, Mahato N, et al. Interface engineering modulation combined
with electronic structure modification of Zn-doped NiO heterostructure for efficient
water-splitting activity. ACS Applied Energy Materials. 2024;7(1):214-229.
doi:10.1021/acsaem.3c02519
apa: Kiran, G. K., Singh, S., Mahato, N., Sreekanth, T. V. M., Dillip, G. R., Yoo,
K., & Kim, J. (2024). Interface engineering modulation combined with electronic
structure modification of Zn-doped NiO heterostructure for efficient water-splitting
activity. ACS Applied Energy Materials. American Chemical Society. https://doi.org/10.1021/acsaem.3c02519
chicago: Kiran, Gundegowda Kalligowdanadoddi, Saurabh Singh, Neelima Mahato, Thupakula
Venkata Madhukar Sreekanth, Gowra Raghupathy Dillip, Kisoo Yoo, and Jonghoon Kim.
“Interface Engineering Modulation Combined with Electronic Structure Modification
of Zn-Doped NiO Heterostructure for Efficient Water-Splitting Activity.” ACS
Applied Energy Materials. American Chemical Society, 2024. https://doi.org/10.1021/acsaem.3c02519.
ieee: G. K. Kiran et al., “Interface engineering modulation combined with
electronic structure modification of Zn-doped NiO heterostructure for efficient
water-splitting activity,” ACS Applied Energy Materials, vol. 7, no. 1.
American Chemical Society, pp. 214–229, 2024.
ista: Kiran GK, Singh S, Mahato N, Sreekanth TVM, Dillip GR, Yoo K, Kim J. 2024.
Interface engineering modulation combined with electronic structure modification
of Zn-doped NiO heterostructure for efficient water-splitting activity. ACS Applied
Energy Materials. 7(1), 214–229.
mla: Kiran, Gundegowda Kalligowdanadoddi, et al. “Interface Engineering Modulation
Combined with Electronic Structure Modification of Zn-Doped NiO Heterostructure
for Efficient Water-Splitting Activity.” ACS Applied Energy Materials,
vol. 7, no. 1, American Chemical Society, 2024, pp. 214–29, doi:10.1021/acsaem.3c02519.
short: G.K. Kiran, S. Singh, N. Mahato, T.V.M. Sreekanth, G.R. Dillip, K. Yoo, J.
Kim, ACS Applied Energy Materials 7 (2024) 214–229.
corr_author: '1'
date_created: 2024-01-17T12:48:35Z
date_published: 2024-01-08T00:00:00Z
date_updated: 2024-10-09T21:07:53Z
day: '08'
department:
- _id: MaIb
doi: 10.1021/acsaem.3c02519
external_id:
isi:
- '001138342900001'
intvolume: ' 7'
isi: 1
issue: '1'
keyword:
- Electrical and Electronic Engineering
- Materials Chemistry
- Electrochemistry
- Energy Engineering and Power Technology
- Chemical Engineering (miscellaneous)
language:
- iso: eng
month: '01'
oa_version: None
page: 214-229
publication: ACS Applied Energy Materials
publication_identifier:
issn:
- 2574-0962
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Interface engineering modulation combined with electronic structure modification
of Zn-doped NiO heterostructure for efficient water-splitting activity
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 7
year: '2024'
...