Theoretical investigations of structural, electronic, magnetic, and optical properties of group V (X = V, Nb, Ta) added CeO2-X materials for optoelectronic applications

Imran Taj; M. Junaid Iqbal Khan; Hafiza Saima Batool; Javed Ahmad; Masood Yousaf; Nauman Usmani; Asif Rasheed

doi:10.1007/s00894-024-05958-5

journal article May 01, 2024

Theoretical investigations of structural, electronic, magnetic, and optical properties of group V (X = V, Nb, Ta) added CeO2-X materials for optoelectronic applications

Imran Taj M. Junaid Iqbal Khan Hafiza Saima Batool Javed Ahmad

Masood Yousaf

Nauman Usmani Asif Rasheed

Journal of Molecular Modeling Vol. 30 No. 5 · Springer Science and Business Media LLC

View at Publisher Save 10.1007/s00894-024-05958-5

Topics

No keywords indexed for this article. Browse by subject →

References

72

[1]

Hudda K, Rathee B, Wati M (2023) Sweety Ranga and Rajdeep Tyagi, some applications of CeO 2 nanoparticles. Orient J Chem 39:684–693 10.13005/ojc/390319

[2]

Ahuja G, Sharma S, Arora G (2016) Investigation of electronic structure of CeO2: first principles calculations. Int J Chem Sci 14:1907–1917

[3]

Jia Dong X, Feng JJ, Shi B, Yangqing W, Cao B (2023) Annealing free CeO2 electron transport layer for efficient perovskite solar cells. J Solid State Chem 317:123661 10.1016/j.jssc.2022.123661

[4]

Singh A, Saini R, Kumar P, Kandasami A (2022) Tailoring of defects dependent magnetic properties of swift heavy ion irradiated CeO2 for spintronics application. J Appl Phys 132:125901 10.1063/5.0088882

[5]

Ahmad Hashim MH, Abbas N-A-HA-A, Hadi A (2023) Controlling the morphological, optical and dielectric characteristics of PS/SiC/CeO2 nanostructures for nanoelectronics and optics fields. J Inorg Organomet Polym Mater 33:1–9 10.1007/s10904-022-02485-9

[6]

Gatea HA, Hachim FK (2023) Impact of molarity on the structural, morphological and optical properties of CeO2 thin films prepared by spray pyrolysis technique. AIP Conf Proc 2591:030067 10.1063/5.0129382

[7]

Das HT, Balaji E, Dutta S, Das N, Das P, Mondal A, Iman M (2022) Recent trend of CeO2-based nanocomposites electrode in supercapacitor: a review on energy storage applications. J Energy Storage 50:104643 10.1016/j.est.2022.104643

[8]

Ghahramani Z, Arabi AM, Afarani MS, Mahdavian M (2022) Ceria particles synthesized via combustion method to inspire active protection for epoxy coating on mild steel. Colloids Surf A Physicochem Eng Aspects 640:128309 10.1016/j.colsurfa.2022.128309

[9]

Wang W, Zhang B, Jiang S, Bai H, Zhang S (2019) Use of CeO2 nanoparticles to enhance UV-shielding of transparent regenerated cellulose films. Polymers 11:458 10.3390/polym11030458

[10]

Islam A, Sharma A, Singh P, Pandit N, Keshri AK (2022) Plasma-sprayed CeO2 overlay on YSZ thermal barrier coating: solution for resisting molten CMAS infiltration. Ceram Int 48:14587–14595 10.1016/j.ceramint.2022.01.352

[11]

Li D, Guo Z, Zhao R, Yin N, Qingling X, Yao X (2022) A simple method for the preparation of CeO2 with high antioxidant activity and wide application range. Nanotechnology 34:105706 10.1088/1361-6528/aca982

[12]

Kašpar J, Fornasiero P, Graziani M (1999) Use of CeO2-based oxides in the three-way catalysis. Catal Today 50:285–298 10.1016/s0920-5861(98)00510-0

[13]

Zhang N, Miyazaki S, Qian Y, Jing Y, Toyao T, Shimizu K-I (2023) Mechanism of the periodic unsteady-state water–gas shift reaction on highly dispersed Cu-loaded CeO2 catalysts. ACS Catal 13:8503–8515 10.1021/acscatal.3c02240

[14]

Liu K-Q, Chuan-Bao W, Zhou S-Y (2023) Influence of Al3+ doping on dispersion and suspension stability of nano CeO2 particles. Integr Ferroelectr 231:31–39 10.1080/10584587.2022.2143198

[15]

Dong Y, Yousaf M, Shah MAKY, Akbar M, Yuzheng L, ZHeng L, Sial QA, Cao P, Deng C (2023) Developing CeO2-CoAl2O4 semiconductor ionic based heterostructure composite electrolyte for low- temperature solid oxide fuel cells (SOFCs). Crystals 13:975 10.3390/cryst13060975

[16]

Riaz A, Kremer F, Kim T, Sattayaporn S, Tsuzuki T, Lipinski W, Lowe A (2021) Experimental demonstration of vanadium-doped nanostructured ceria for enhanced solar thermochemical syngas production. Nano Energy 81:105639 10.1016/j.nanoen.2020.105639

[17]

Erpalov MV, Tarutin AP, Danilov NA, Osinkin DA, Medvedev DA (2023) Chemistry and electrochemistry of CeO2-based interlayers: prolonging the lifetime of solid oxide fuel and electrolysis cells. Russ Chem Rev 92:10 10.59761/rcr5097

[18]

Feng K, Lyu B, Zhao T, Yin T, Zhou Z (2022) Fabrication and application of gel-forming CeO2 fixed abrasive tools for quartz glass polishing. Int J Precis Eng Manuf 23:985–1002 10.1007/s12541-022-00687-2

[19]

Ma Q, Chu Y, Ni X, Zhang J, Chen H, Fei X, Wang Y (2023) CeO2 modified carbon nanotube electrified membrane for the removal of antibiotics. Chemosphere 310:136771 10.1016/j.chemosphere.2022.136771

[20]

Appu M, Huixiang W, Chen H, Huang J (2022) Tea polyphenols mediated biogenic synthesis of chitosan-coated cerium oxide (CS/CeO2) nanocomposites and their potent antimicrobial capabilities. Environ Sci Pollut Res 30:1–12 10.1007/s11356-022-19349-x

[21]

Siva Prakash R, Chandrasekaran J, Vivek P, Balasubramani V (2023) Improvement of optoelectronic properties of in doped CeO2 thin films for photodiode applications. Inorg Chem Commun 151:110592 10.1016/j.inoche.2023.110592

[22]

Ali MKA, Xianjun H (2022) Exploring the lubrication mechanism of CeO2 nanoparticles dispersed in engine oil by bis (2-ethylhexyl) phosphate as a novel antiwear additive. Tribol Int 165:107321 10.1016/j.triboint.2021.107321

[23]

Cao X, Zhao S, Liu X, Zhu X, Gao Y, Gao Y (2022) CeO2/Co3O4@ N-doped hollow carbon microspheres with improved peroxidase-like activity for the determination of quercetin. Anal Bioanal Chem 414:4767–4775 10.1007/s00216-022-04100-9

[24]

Matussin SN, Harunsani MH, Khan MM (2023) CeO2 and CeO2-based nanomaterials for photocatalytic, antioxidant and antimicrobial activities. J Rare Earths 41:167–181 10.1016/j.jre.2022.09.003

[25]

Bao B, Sun Y, Li X, Li L, Yan Y (2023) Tuning the UV absorbing ability of CeO2 nanoparticles with F-doping. FlatChem 39:100494 10.1016/j.flatc.2023.100494

[26]

Wang H, Haiming H, Zhou C, Wei W, Fan B, Wang H, Dong S (2023) Fabrication of self-healable superhydrophobic polyurethane coating based on functional CeO2 nanoparticles for long-term anti-corrosion application. Prog Org Coat 183:107799 10.1016/j.porgcoat.2023.107799

[27]

Shoran S, Chaudhary S, Sharma A (2023) Photocatalytic dye degradation and antibacterial activities of CeO2/g-C3N4 nanomaterials for environmental applications. Environ Sci Pollut Res 30:98682–98700 10.1007/s11356-022-23815-x

[28]

Sonali JMI, Kavitha R, Kumar PS, Rajagopal R, Gayathri KV, Ghafar AA (2022) Saravanan Govindaraju, Application of a novel nanocomposite containing micro-nutrient solubilizing bacterial strains and CeO2 nanocomposite as bio-fertilizer. Chemosphere 286:131800 10.1016/j.chemosphere.2021.131800

[29]

Yaghoobi Z, Sankar V, Amini N, Rahdar A (2020) Exploring the cytotoxicity of CeO2 nanoparticles: a compendious approach. J Nanoanal 7:83–95

[30]

Stevanović JN, Petrovic SP, Tadic NB, Cvetanovic K, Silva AG, Radovic DV, Sarajilc M (2023) Mechanochemical synthesis of TiO2-CeO2 mixed oxides utilized as a screen-printed sensing material for oxygen sensor. Sensor 23:1313 10.3390/s23031313

[31]

Wang Y, Yang L, Liu B, Liao S, Xiao F, Zhou Y, Zhou P (2023) Radiation skin injury care in radiotherapy for oncology: mechanisms, drug therapy and novel biomaterial application strategies. Adv Therapeu 6:2300024 10.1002/adtp.202300024

[32]

Ashok Reddy GV, Kumar KV, Shaik H, Shetty HD, Jaffari RI, Sattar SA, Kamath K, Doreswamy BH (2023) Growth of cerium oxide nanorods by hydrothermal method and electrochromic properties of CeO2/WO3 hybrid thin films for smart window applications. Mater Today Proc 80:833–839 10.1016/j.matpr.2022.11.316

[33]

Xie A, Wang H, Zhu Z, Zhang W, li X, Wang Q, Luo S (2021) Mesoporous CeO2-α-MnO2-reduced graphene oxide composite with ultra-high stability as a novel electrode material for supercapacitor. Surf Interf 25:101177 10.1016/j.surfin.2021.101177

[34]

Wang X, Wang J, Sun Y, Li K, Shang T, Wan Y (2022) Recent advances and perspectives of CeO2-based catalysts: electronic properties and applications for energy storage and conversion. Front Chem 10:1089708 10.3389/fchem.2022.1089708

[35]

Bian Y, Chunying X, Wen X, Leilei X, Cui Y, Wang S, Cai-e-Wu JQ, Chang G, Chen M (2023) CO2 methanation over the Ni-based catalysts supported on nano-CeO2 with varied morphologies. Fuel 331:125755 10.1016/j.fuel.2022.125755

[36]

Liu H, Zhu D, Jia B, Huang Y, Cheng Y, Luo X, Liang Z (2022) Study on catalytic performance and kinetics of high efficiency CeO2 catalyst prepared by freeze drying for the synthesis of dimethyl carbonate from CO2 and methanol. Chem Eng Sci 254:117614 10.1016/j.ces.2022.117614

[37]

Zhang L, Zhi G-X, Meng Q, Dou W, Chenqiang Hua L, Sun MZ (2022) Polaronic defects in monolayer CeO2: quantum confinement effect and strain engineering. J Chem Phys 157:194701 10.1063/5.0122958

[38]

Li H, Liu Y, Li W, Li S, Bi Y (2023) Influence of doping CeO2 vacancies on conductive properties. Maters Today Commun 37:107207 10.1016/j.mtcomm.2023.107207

[39]

Azergue FZ, Rami R, Assad R, Drissi LB (2023) Effect of 3d transition metal impurities doping on electronic and magnetic properties of CeO2. Solid State Commun 371:115275 10.1016/j.ssc.2023.115275

[40]

Liu Z, Ma H, Sorrell CC, Koshy P, Wang B, Hart JN (2023) Enhancement of light absorption and oxygen vacancy formation in CeO2 by transition metal doping: a DFT study. Appl Catal A Gen 670:119544 10.1016/j.apcata.2023.119544

[41]

Monfort O, Petrisková P (2021) Binary and ternary vanadium oxides: general overview, physical properties, and photochemical processes for environmental applications. Processes 9:214 10.3390/pr9020214

[42]

Hydrothermal synthesis of vanadium doped nickel sulfide nanoflower for high-performance supercapacitor

Caihong Yan, Xiaohui Yang, Shun Lu et al.

Journal of Alloys and Compounds 2022 10.1016/j.jallcom.2022.167189

[43]

Coles MP (2006) Vanadium, niobium and tantalum. Ann Rep Sect A(Inorg Chem) 102:181–193 10.1039/b515000k

[44]

El-Habib A, Addou M, Aouni A, Diani M, Zimou J, Bakkali H (2021) Synthesis, structural and optical characteristics of vanadium doped cerium dioxide layers. Materialia 18:101143 10.1016/j.mtla.2021.101143

[45]

A. El-Habib, M. Addou, A. Aouni, J. Zimou, M. Diani, H. Fatouhi, Z. El. Jouad (2021) Physical properties and electrochemical behavior of thin layers of vanadium doped cerium dioxide, Surf Interf 23: 100906. 10.1016/j.surfin.2020.100906

[46]

Amini M, Ashrafi M, Gautam S, Chae KH (2015) Rapid oxidative degradation of methylene blue by various metal oxides doped with vanadium. RSC Adv 5:37469–37475 10.1039/c5ra03194j

[47]

Vanpoucke DEP, Bultinck P, Cottenier S, Van Speybroeck V, Van Driessche I (2014) Aliovalent doping of CeO2: DFT study of oxidation state and vacancy effects. J Mater Chem A 2:13723–13737 10.1039/c4ta02449d

[48]

Kang L, Zhang YJ, Yang MY, Zhang L, Zhang K, Zhang WL (2016) A novel V-doped CeO2 loaded alkali-activated steel slag-based nanocomposite for photocatalytic degradation of malachite green. Integr Ferroelectr 170:1–9 10.1080/10584587.2016.1165572

[49]

Yashiro K, Suzuki T, Kaimi A, Matsumoto H, Niggra Y, Kawada T, Mizusaki J, Sfeir J, Van Herle J (2004) Electrical properties and defect structure of niobia-doped ceria. Solid State Ionics 175:341–344 10.1016/j.ssi.2004.01.066

[50]

Hiley CI, Playford HY, Fisher JM, Felix NC, Thompsett D, Kashtiban RJ, Walton RI (2018) Pair distribution function analysis of structural disorder by Nb5+ inclusion in ceria: evidence for enhanced oxygen storage capacity from under-coordinated oxide. J Amer Chem Soc 140:1588–1591 10.1021/jacs.7b12421

Showing 50 of 72 references

Metrics

10

Citations

72

References

Details

Published: May 01, 2024
Vol/Issue: 30(5)
License: View

Authors

Cite This Article

Imran Taj, M. Junaid Iqbal Khan, Hafiza Saima Batool, et al. (2024). Theoretical investigations of structural, electronic, magnetic, and optical properties of group V (X = V, Nb, Ta) added CeO2-X materials for optoelectronic applications. Journal of Molecular Modeling, 30(5). https://doi.org/10.1007/s00894-024-05958-5

Theoretical investigations of structural, electronic, magnetic, and optical properties of group V (X = V, Nb, Ta) added CeO2-X materials for optoelectronic applications

You May Also Like