{"status":"public","keyword":["Electrical and Electronic Engineering","Materials Chemistry","Electrochemistry","Energy Engineering and Power Technology","Chemical Engineering (miscellaneous)"],"article_type":"original","_id":"14828","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.","department":[{"_id":"MaIb"}],"oa_version":"None","doi":"10.1021/acsaem.3c02519","type":"journal_article","date_updated":"2024-01-22T13:47:39Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication":"ACS Applied Energy Materials","issue":"1","month":"01","date_created":"2024-01-17T12:48:35Z","publication_status":"published","publisher":"American Chemical Society","external_id":{"isi":["001138342900001"]},"volume":7,"date_published":"2024-01-08T00:00:00Z","quality_controlled":"1","scopus_import":"1","citation":{"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.” <i>ACS Applied Energy Materials</i>, vol. 7, no. 1, American Chemical Society, 2024, pp. 214–29, doi:<a href=\"https://doi.org/10.1021/acsaem.3c02519\">10.1021/acsaem.3c02519</a>.","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.","apa":"Kiran, G. K., Singh, S., Mahato, N., Sreekanth, T. V. M., Dillip, G. R., Yoo, K., &#38; Kim, J. (2024). Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity. <i>ACS Applied Energy Materials</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsaem.3c02519\">https://doi.org/10.1021/acsaem.3c02519</a>","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. <i>ACS Applied Energy Materials</i>. 2024;7(1):214-229. doi:<a href=\"https://doi.org/10.1021/acsaem.3c02519\">10.1021/acsaem.3c02519</a>","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.” <i>ACS Applied Energy Materials</i>. American Chemical Society, 2024. <a href=\"https://doi.org/10.1021/acsaem.3c02519\">https://doi.org/10.1021/acsaem.3c02519</a>.","ieee":"G. K. Kiran <i>et al.</i>, “Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity,” <i>ACS Applied Energy Materials</i>, vol. 7, no. 1. American Chemical Society, pp. 214–229, 2024."},"intvolume":"         7","title":"Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity","article_processing_charge":"No","publication_identifier":{"issn":["2574-0962"]},"author":[{"last_name":"Kiran","first_name":"Gundegowda Kalligowdanadoddi","full_name":"Kiran, Gundegowda Kalligowdanadoddi"},{"first_name":"Saurabh","orcid":"0000-0003-2209-5269","last_name":"Singh","full_name":"Singh, Saurabh","id":"12d625da-9cb3-11ed-9667-af09d37d3f0a"},{"full_name":"Mahato, Neelima","first_name":"Neelima","last_name":"Mahato"},{"last_name":"Sreekanth","first_name":"Thupakula Venkata Madhukar","full_name":"Sreekanth, Thupakula Venkata Madhukar"},{"last_name":"Dillip","first_name":"Gowra Raghupathy","full_name":"Dillip, Gowra Raghupathy"},{"full_name":"Yoo, Kisoo","last_name":"Yoo","first_name":"Kisoo"},{"first_name":"Jonghoon","last_name":"Kim","full_name":"Kim, Jonghoon"}],"language":[{"iso":"eng"}],"day":"08","page":"214-229","isi":1,"abstract":[{"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.","lang":"eng"}],"year":"2024"}