Journal Home > Volume 10 , issue 5

Modification is one of the most important and effective methods to improve the photoelectrocatalytic (PEC) performance of ZnO. In this paper, the RuxZn1-xO/Ti electrodes were prepared by thermal decomposition method and the effect of Ru content on those electrodes’ electronic structure was analyzed through the first-principles calculation. Various tests were also performed to observe the microstructures and PEC performance. The results showed that as the Ru4+ transferred into ZnO lattice and replaced a number of Zn2+, the conduction band of ZnO moved downward and the valence band went upward. The number of photogenerated electron-hole pairs increased as the impurity levels appeared in the band gap. In addition, ZnO nanorods exhibited a smaller grain size and a rougher surface under the effect of Ru. Meanwhile, the RuO2 nanoparticles on the surface of ZnO nanorods acted as the electron-transfer channel, helping electrons transfer to the counter electrode and delaying the recombination of the electron-hole pairs. Specifically, the RuxZn1-xO/Ti electrodes with 9.375 mol% Ru exhibited the best PEC performance with a rhodamine B (RhB) removal rate of 97%, much higher than the combination of electrocatalysis (EC, 12%) and photocatalysis (PC, 50%), confirming the synergy of photoelectrocatalysis.


menu
Abstract
Full text
Outline
About this article

Electronic structure and enhanced photoelectrocatalytic performance of RuxZn1-xO/Ti electrodes

Show Author's information Yanqun SHAOa,b( )Keke FENGaJie GUOaRongrong ZHANGaSijiang HEaXinli WEIaYuting LINaZhanghao YEaKongfa CHENa
College of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, China
College of Zhicheng, Fuzhou University, Fuzhou 350002, China

Abstract

Modification is one of the most important and effective methods to improve the photoelectrocatalytic (PEC) performance of ZnO. In this paper, the RuxZn1-xO/Ti electrodes were prepared by thermal decomposition method and the effect of Ru content on those electrodes’ electronic structure was analyzed through the first-principles calculation. Various tests were also performed to observe the microstructures and PEC performance. The results showed that as the Ru4+ transferred into ZnO lattice and replaced a number of Zn2+, the conduction band of ZnO moved downward and the valence band went upward. The number of photogenerated electron-hole pairs increased as the impurity levels appeared in the band gap. In addition, ZnO nanorods exhibited a smaller grain size and a rougher surface under the effect of Ru. Meanwhile, the RuO2 nanoparticles on the surface of ZnO nanorods acted as the electron-transfer channel, helping electrons transfer to the counter electrode and delaying the recombination of the electron-hole pairs. Specifically, the RuxZn1-xO/Ti electrodes with 9.375 mol% Ru exhibited the best PEC performance with a rhodamine B (RhB) removal rate of 97%, much higher than the combination of electrocatalysis (EC, 12%) and photocatalysis (PC, 50%), confirming the synergy of photoelectrocatalysis.

Keywords:

RuxZn1-xO/Ti electrode, first-principles calculation, electric collector, photoelectric synergistic catalysis
Received: 04 January 2021 Revised: 16 April 2021 Accepted: 17 April 2021 Published: 18 September 2021 Issue date: October 2021
References(74)
[1]
Weber EJ, Adams RL. Chemical- and sediment-mediated reduction of the azo dye disperse blue 79. Environ Sci Technol 1995, 29: 1163-1170.
[2]
Zhang FL, Zhao JC, Shen T, et al. TiO2-assisted photodegradation of dye pollutants II. Adsorption and degradation kinetics of eosin in TiO2 dispersions under visible light irradiation. Appl Catal B: Environ 1998, 15: 147-156.
[3]
Maleki A. Fe3O4/SiO2 nanoparticles: An efficient and magnetically recoverable nanocatalyst for the one-pot multicomponent synthesis of diazepines. Tetrahedron 2012, 68: 7827-7833.
[4]
Maleki A. One-pot multicomponent synthesis of diazepine derivatives using terminal alkynes in the presence of silica- supported superparamagnetic iron oxide nanoparticles. Tetrahedron Lett 2013, 54: 2055-2059.
[5]
Afzaal M, Malik MA, O’Brien P. Preparation of zinc containing materials. New J Chem 2007, 31: 2029-2040.
[6]
Kamat PV. Meeting the clean energy demand: Nanostructure architectures for solar energy conversion. J Phys Chem C 2007, 111: 2834-2860.
[7]
Roshan S A, Joseph C, Ittyachen MA. Growth and characterization of a new metal-organic crystal: Potassium thiourea bromide. Mater Lett 2001, 49: 299-302.
[8]
Vayssieres L. Growth of arrayed nanorods and nanowires of ZnO from aqueous solutions. Adv Mater 2003, 15: 464-466.
[9]
Maleki A. One-pot three-component synthesis of pyrido[2′,1′: 2,3]imidazo[4,5-c]isoquinolines using Fe3O4@SiO2-OSO3H as an efficient heterogeneous nanocatalyst. RSC Adv 2014, 4: 64169-64173.
[10]
Kumar SG, Rao KSRK. Zinc oxide based photocatalysis: Tailoring surface-bulk structure and related interfacial charge carrier dynamics for better environmental applications. RSC Adv 2015, 5: 3306-3351.
[11]
Kim KJ, Kreider PB, Choi C, et al. Visible-light-sensitive Na-doped p-type flower-like ZnO photocatalysts synthesized via a continuous flow microreactor. RSC Adv 2013, 3: 12702-12710.
[12]
Maleki A. Green oxidation protocol: Selective conversions of alcohols and alkenes to aldehydes, ketones and epoxides by using a new multiwall carbon nanotube-based hybrid nanocatalyst via ultrasound irradiation. Ultrason Sonochem 2018, 40: 460-464.
[13]
Varzi Z, Maleki A. Design and preparation of ZnS- ZnFe2O4: A green and efficient hybrid nanocatalyst for the multicomponent synthesis of 2,4,5-triaryl-1H-imidazoles. Appl Organomet Chem 2019, 33: e5008.
[14]
Lee JC, Park S, Park HJ, et al. Photocatalytic degradation of TOC from aqueous phenol solution using solution combusted ZnO nanopowders. J Electroceramics 2009, 22: 110-113.
[15]
Khassin AA, Yurieva TM, Kaichev VV, et al. Metal- support interactions in cobalt-aluminum co-precipitated catalysts: XPS and CO adsorption studies. J Mol Catal A: Chem 2001, 175: 189-204.
[16]
Maleki A, Varzi Z, Hassanzadeh-Afruzi F. Preparation and characterization of an eco-friendly ZnFe2O4@alginic acid nanocomposite catalyst and its application in the synthesis of 2-amino-3-cyano-4H-pyran derivatives. Polyhedron 2019, 171: 193-202.
[17]
Ma CH, Liu ZF, Cai QJ, et al. ZnO photoelectrode simultaneously modified with Cu2O and Co-Pi based on broader light absorption and efficiently photogenerated carrier separation. Inorg Chem Front 2018, 5: 2571-2578.
[18]
Zhang SC, Liu ZF, Ruan MN, et al. Enhanced piezoelectric- effect-assisted photoelectrochemical performance in ZnO modified with dual cocatalysts. Appl Catal B: Environ 2020, 262: 118279.
[19]
Maleki A, Hajizadeh Z, Sharifi V, et al. A green, porous and eco-friendly magnetic geopolymer adsorbent for heavy metals removal from aqueous solutions. J Clean Prod 2019, 215: 1233-1245.
[20]
Maleki A, Mohammad M, Emdadi Z, et al. Adsorbent materials based on a geopolymer paste for dye removal from aqueous solutions. Arab J Chem 2020, 13: 3017-3025.
[21]
Wang XQ, Zhou YN, Li R, et al. Removal of Hg0 from a simulated flue gas by photocatalytic oxidation on Fe and Ce co-doped TiO2 under low temperature. Chem Eng J 2019, 360: 1530-1541.
[22]
Zhao SW, Zuo HF, Guo YR, et al. Carbon-doped ZnO aided by carboxymethyl cellulose: Fabrication, photoluminescence and photocatalytic applications. J Alloys Compd 2017, 695: 1029-1037.
[23]
Zhao W, Zhong Q, Pan YX, et al. Systematic effects of S-doping on the activity of V2O5/TiO2 catalyst for low-temperature NH3-SCR. Chem Eng J 2013, 228: 815-823.
[24]
Kayani ZN, Anjum M, Riaz S, et al. Role of Mn in biological, optical, and magnetic properties ZnO nano- particles. Appl Phys A 2020, 126: 1-17.
[25]
Maleki A, Kari T. Novel leaking-free, green, double core/shell, palladium-loaded magnetic heterogeneous nanocatalyst for selective aerobic oxidation. Catal Lett 2018, 148: 2929-2934.
[26]
Ashebir ME, Tesfamariam GM, Nigussie GY, et al. Structural, optical, and photocatalytic activities of Ag-doped and Mn-doped ZnO nanoparticles. J Nanomater 2018, 2018: 1-9.
[27]
Qiu YF, Fan HB, Tan GP, et al. Effect of nitrogen doping on the photo-catalytic properties of nitrogen doped ZnO tetrapods. Mater Lett 2014, 131: 64-66.
[28]
Ditta MA, Farrukh MA, Ali S, et al. X-ray peak profiling, optical parameters and catalytic properties of pure and CdS doped ZnO-NiO nanocomposites. Russ J Appl Chem 2017, 90: 151-159.
[29]
Maleki A, Kari T, Aghaei M. Fe3O4@SiO2@TiO2-OSO3H: An efficient hierarchical nanocatalyst for the organic quinazolines syntheses. J Porous Mater 2017, 24: 1481-1496.
[30]
Etacheri V, Roshan R, Kumar V. Mg-doped ZnO nanoparticles for efficient sunlight-driven photocatalysis. ACS Appl Mater Interfaces 2012, 4: 2717-2725.
[31]
Soltaninejad V, Maleki A. A green, and eco-friendly bionanocomposite film (poly(vinyl alcohol)/TiO2/chitosan/ chlorophyll) by photocatalytic ability, and antibacterial activity under visible-light irradiation. J Photochem Photobiol A: Chem 2021, 404: 112906.
[32]
Han JS, An HJ, Kim TW, et al. Effect of structure- controlled ruthenium oxide by nanocasting in electrocatalytic oxygen and chlorine evolution reactions in acidic conditions. Catalysts 2019, 9: 549.
[33]
Peng F, Zhou CM, Wang HJ, et al. The role of RuO2 in the electrocatalytic oxidation of methanol for direct methanol fuel cell. Catal Commun 2009, 10: 533-537.
[34]
Yue H, Xue LZ, Chen F. Efficiently electrochemical removal of nitrite contamination with stable RuO2-TiO2/Ti electrodes. Appl Catal B: Environ 2017, 206: 683-691.
[35]
Taheri-Ledari R, Valadi K, Maleki A. High-performance HTL-free perovskite solar cell: An efficient composition of ZnO NRs, RGO, and CuInS2 QDs, as electron-transporting layer matrix. Prog Photovolt: Res Appl 2020, 28: 956-970.
[36]
Dalal B, Sarkar B, De SK. Itinerant to localized electronic behavior in phase segregated ruthenates. J Alloys Compd 2016, 667: 248-254.
[37]
Mariolacos K. The role of electronegativity in solid solution formation: An addendum. N Jb Miner Mh 2003, 2003: 215-221.
[38]
Liu ZF, E L, Ya J, et al. Growth of ZnO nanorods by aqueous solution method with electrodeposited ZnO seed layers. Appl Surf Sci 2009, 255: 6415-6420.
[39]
Alam U, Khan A, Raza W, et al. Highly efficient Y and V co-doped ZnO photocatalyst with enhanced dye sensitized visible light photocatalytic activity. Catal Today 2017, 284: 169-178.
[40]
Gómez-Pozos H, González-Vidal JL, Torres GA, et al. Chromium and ruthenium-doped zinc oxide thin films for propane sensing applications. Sensors: Basel 2013, 13: 3432-3444.
[41]
Khan MAM, Kumar S, Alhazaa AN, et al. Modifications in structural, morphological, optical and photocatalytic properties of ZnO: Mn nanoparticles by sol-gel protocol. Mater Sci Semicond Process 2018, 87: 134-141.
[42]
Son HS, Choi NJ, Kim KB, et al. Al-doped ZnO seed layer-dependent crystallographic control of ZnO nanorods by using electrochemical deposition. Mater Res Bull 2016, 82: 50-54.
[43]
Deraz NM. Effects of heat treatment on physicochemical properties of cerium based nickel system. J Anal Appl Pyrolysis 2012, 95: 56-60.
[44]
Deraz NM. Effect of NiO content on structural, surface and catalytic characteristics of nano-crystalline NiO/CeO2 system. Ceram Int 2012, 38: 747-753.
[45]
Chan HYH, Takoudis CG, Weaver MJ. High-pressure oxidation of ruthenium as probed by surface-enhanced Raman and X-ray photoelectron spectroscopies. J Catal 1997, 172: 336-345.
[46]
Kleiman-Shwarsctein A, Laursen AB, Cavalca F, et al. A general route for RuO2 deposition on metal oxides from RuO4. Chem Commun: Camb 2012, 48: 967-969.
[47]
Wang FZ, Xu Q, Tan ZA, et al. Efficient polymer solar cells with a solution-processed and thermal annealing-free RuO2 anode buffer layer. J Mater Chem A 2014, 2: 1318-1324.
[48]
Ananth A, Dharaneedharan S, Gandhi MS, et al. Novel RuO2 nanosheets-facile synthesis, characterization and application. Chem Eng J 2013, 223: 729-736.
[49]
Cox PA, Goodenough JB, Tavener PJ, et al. The electronic structure of Bi2-xGdxRu2O7 and RuO2: A study by electron spectroscopy. J Solid State Chem 1986, 62: 360-370.
[50]
Kwak I, Kwon IS, Kim J, et al. IrO2-ZnO hybrid nanoparticles as highly efficient trifunctional electrocatalysts. J Phys Chem C 2017, 121: 14899-14906.
[51]
Jing LQ, Xu ZL, Shang J, et al. The preparation and characterization of ZnO ultrafine particles. Mater Sci Eng: A 2002, 332: 356-361.
[52]
Karamat S, Rawat RS, Tan TL, et al. Exciting dilute magnetic semiconductor: Copper-doped ZnO. J Supercond Nov Magn 2013, 26: 187-195.
[53]
Kostova B, Konstantinov L. Factors determining optical absorption of variously doped single crystals of Bi12SiO20. J Phys: Conf Ser 2010, 253: 012029.
[54]
Bendavid LI, Carter EA. First principles study of bonding, adhesion, and electronic structure at the Cu2O(111)/ ZnO(101¯0) interface. Surf Sci 2013, 618: 62-71.
[55]
Shao YQ, Chen ZJ, Zhu JQ, et al. Relationship between electronic structures and capacitive performance of the electrode material IrO2-ZrO2. J Am Ceram Soc 2016, 99: 2504-2511.
[56]
Hernández RG, Pérez WL, Rodríguez MJA. Electronic structure and magnetism in Ni0.0625Zn0.9375O: An ab initio study. J Magn Magn Mater 2009, 321: 2547-2549.
[57]
Wu HC, Peng YC, Chen CC. Effects of Ga concentration on electronic and optical properties of Ga-doped ZnO from first principles calculations. Opt Mater 2013, 35: 509-515.
[58]
Lakel S, Elhamra F, Almi K, et al. First-principles investigation of electronic and optical properties and thermodynamic stability of Zn1-xBexO semiconductor alloy. Mater Sci Semicond Process 2015, 40: 803-810.
[59]
Tauc J. Optical properties and electronic structure of amorphous germanium. Physica Status Solidi 1966, 3: 37-46.
[60]
Liu HY, Zeng F, Lin YS, et al. Correlation of oxygen vacancy variations to band gap changes in epitaxial ZnO thin films. Appl Phys Lett 2013, 102: 181908.
[61]
Chen ZJ, Zhu JQ, Zhang S, et al. Influence of the electronic structures on the heterogeneous photoelectrocatalytic performance of Ti/RuxSn1-xO2 electrodes. J Hazard Mater 2017, 333: 232-241.
[62]
Zhang X, Wang JM, Liu J, et al. Design and preparation of a ternary composite of graphene oxide/carbon dots/ polypyrrole for supercapacitor application: Importance and unique role of carbon dots. Carbon 2017, 115: 134-146.
[63]
Shao YQ, Yi ZY, He C, et al. Effects of annealing temperature on the structure and capacitive performance of nanoscale Ti/IrO2-ZrO2 electrodes. J Am Ceram Soc 2015, 98: 1485-1492.
[64]
Vaiano V, Matarangolo M, Murcia JJ, et al. Enhanced photocatalytic removal of phenol from aqueous solutions using ZnO modified with Ag. Appl Catal B: Environ 2018, 225: 197-206.
[65]
Costentin C, Drouet S, Robert M, et al. Turnover numbers, turnover frequencies, and overpotential in molecular catalysis of electrochemical reactions. Cyclic voltammetry and preparative-scale electrolysis. J Am Chem Soc 2012, 134: 11235-11242.
[66]
Feng KK, Lin YT, Guo J, et al. Study on the enhanced electron-hole separation capability of IrxZn1-xO/Ti electrodes with high photoelectrocatalysis efficiency. J Hazard Mater 2020, 393: 122488.
[67]
Mostafa AM, Menazea AA. Laser-assisted for preparation ZnO/CdO thin film prepared by pulsed laser deposition for catalytic degradation. Radiat Phys Chem 2020, 176: 109020.
[68]
Beura R, Rajendran S, Gracia Pinilla MA, et al. Enhanced photo-induced catalytic activity of Cu ion doped ZnO-graphene ternary nanocomposite for degrading organic dyes. J Water Process Eng 2019, 32: 100966.
[69]
Boudenne JL, Cerclier O, Galéa J, et al. Electrochemical oxidation of aqueous phenol at a carbon black slurry electrode. Appl Catal A: Gen 1996, 143: 185-202.
[70]
Comninellis C. Electrocatalysis in the electrochemical conversion/combustion of organic pollutants for waste water treatment. Electrochimica Acta 1994, 39: 1857-1862.
[71]
Pelegrini R, Peralta-Zamora P, de Andrade AR, et al. Electrochemically assisted photocatalytic degradation of reactive dyes. Appl Catal B: Environ 1999, 22: 83-90.
[72]
Konstantinou IK, Albanis TA. TiO2-assisted photocatalytic degradation of azo dyes in aqueous solution: Kinetic and mechanistic investigations: A review. Appl Catal B: Environ 2004, 49: 1-14.
[73]
Himebaugh RR, Smith MJ. Semi-micro tube method for chemical oxygen demand. Anal Chem 1979, 51: 1085-1087.
[74]
Wei L, Zhu H, Mao XH, et al. Electrochemical oxidation process combined with UV photolysis for the mineralization of nitrophenol in saline wastewater. Sep Purif Technol 2011, 77: 18-25.
Publication history
Copyright
Acknowledgements
Rights and permissions

Publication history

Received: 04 January 2021
Revised: 16 April 2021
Accepted: 17 April 2021
Published: 18 September 2021
Issue date: October 2021

Copyright

© The Author(s) 2021

Acknowledgements

The work was supported by the National Natural Science Foundation of China (83418083) and the Natural Science Foundation of Fujian Province (2019J01230).

Rights and permissions

This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made.

The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder.

To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.

Reprints and Permission requests may be sought directly from editorial office.

Return