Electrochemical and DFT investigations of light rare earth chromite nanofibers

1. Tiwari B, Dixit A, Naik R, Lawes G, Ramachandra Rao MS (2013) Dielectric and optical phonon anomalies near antiferromagnetic ordering in LaCrO3: a possible near room temperature magnetodielectric system. Appl Phys Lett 103:152906. https://doi.org/10.1063/1.482491910.1063/1.4824919 ↗

2. Kumar S, Coondoo I, Vasundhara M, Kumar S, Kholkin AL, Panwar N (2017) Structural, magnetic, magnetocaloric and specific heat investigations on Mn doped PrCrO3 orthochromites. J Phys Condens Matter 29(19):195802. https://doi.org/10.1088/1361-648x/aa666c10.1088/1361-648x/aa666c ↗

3. Weber MC, Kreisel J, Thomas PA, Newton M, Sardar K, Walton RI (2012) Phonon Raman scattering of RCrO3 perovskites (R = Y, La, Pr, Sm, Gd, Dy, Ho, Yb, Lu). Phys Rev B 85:054303. https://doi.org/10.1103/PhysRevB.85.05430310.1103/PhysRevB.85.054303 ↗

4. He Y, Zhou W, Xu J (2022) Rare earth-based nanomaterials for supercapacitors: preparation, structure engineering and application. Chemsuschem 15:e202200469. https://doi.org/10.1002/cssc.20220046910.1002/cssc.202200469 ↗

5. He J, Wang T, Bi X, Tian Y, Huang C, Weibin X, Yue H, Wang Z, Jiang B, Gao Y, Zhu Y, Wang X (2024) Subsurface A-site vacancy activates lattice oxygen in perovskite ferrites for methane anaerobic oxidation to syngas. Nat Commun 15(1):5422. https://doi.org/10.1038/s41467-024-49776-y10.1038/s41467-024-49776-y ↗

6. Raji RK, Ramachandran T, Muralidharan M, Suriakatrhick R, Dhilip M, Hamed F, Kurapati V (2021) Conventional synthesis of perovskite structured LaTixFe1−xO3: a comprehensive evaluation on phase formation, opto-magnetic, and dielectric properties. Int J Mater Res 112:753–765. https://doi.org/10.1515/ijmr-2020-816210.1515/ijmr-2020-8162 ↗

7. Raji RK, Ramachandran T, Muralidharan M, Suriakarthick R, Dhilip M, Raja A, Aravinth K, Karthikeyan S, Ramasamy P, Kurapati V, Hamed F, Mourad AI (2022) Dual-phase formation in LaFeO3 upon doping of rare-earth Dy3+: struct-opto-dielectric-magnetic characteristics. J Mater Sci Mater Electron 33:10626–10644. https://doi.org/10.1007/s10854-022-08047-610.1007/s10854-022-08047-6 ↗

8. Raji RK, Ramachandran T, Natarajan K, Muralidharan M, Hamed F, Kurapati V (2019) Fraction of rare-earth (Sm/Nd)—lanthanum ferrite-based perovskite ferroelectric and magnetic nanopowders. J Electron Mater 48:1694–1703. https://doi.org/10.1007/s11664-018-06897-710.1007/s11664-018-06897-7 ↗

9. Raji RK, Ramachandran T, Hamed F, Srinivasa S (2023) Tailoring multiferroic characteristics in LaFeO3 nanocrystals via rare-earth Pr3+ doping. Adv Cond Matter Phys 2023:7369790. https://doi.org/10.1155/2023/736979010.1155/2023/7369790 ↗

10. Raji RK, Kurapati V, Ramachandran T, Muralidharan M, Suriakarthick R, Dhilip M, Hamed F (2020) Tweaking the red emission, magneto, and dielectrical properties of perovskite type-LaFeO3 in the presence of Co substitution. J Mater Sci Mater Electron 31:7998–8014. https://doi.org/10.1007/s10854-020-03340-810.1007/s10854-020-03340-8 ↗

11. Raji RK, Ramachandran T, Muralidharan M, Suriakarthick R, Dhilip M, Raja A, Kurapati V, Hamed F, Ramasamy P, Mourad AI (2021) Twitching the inherent properties: the impact of transition metal Mn-doped on LaFeO3-based perovskite materials. J Mater Sci Mater Electron 32:25528–25544. https://doi.org/10.1007/s10854-021-07018-710.1007/s10854-021-07018-7 ↗

12. He L, Yang J, Guo W, Li Y, Fernández-Carrión AJ, Kuang X (2023) Remarkable enhancement of photocatalytic performance in LaCrO3 through a controlled chemical reduction process. Dalton Trans 52:5336–5344. https://doi.org/10.1039/d2dt03806d10.1039/d2dt03806d ↗

13. Late R, Wagaskar KV, Shelke PB, Sagdeo PR (2021) Structural, optical and dielectric properties of Bi substituted polycrystalline praseodymium chromate. Mater Chem Phys 262:124313. https://doi.org/10.1016/j.matchemphys.2021.12431310.1016/j.matchemphys.2021.124313 ↗

14. Ansari AA, Majeed Khan MA, Alam M (2023) Perovskite nanoparticles and their use in efficient electro-catalytic oxidation of tadalafil. J Electron Mater 52:6864–6873. https://doi.org/10.1007/s11664-023-10622-410.1007/s11664-023-10622-4 ↗

15. Shanker J, Ananthaiah J, Kumar NP, Venkataramana K, Raju P, Pandarinath MA, Abhinav EM, Ujwal UP (2022) Synthesis, structural, microscopic, and electrical properties studies of neodymium chromite perovskite nanoparticles. ECS J Solid State Sci 11:043011. https://doi.org/10.1149/2162-8777/ac611b10.1149/2162-8777/ac611b ↗

16. Huang W, Cui Y, Zhang R, Wang Y, Wang R, Lau LWM (2021) The improvements of the dielectric performance of SmCrO3 by Zn doping. Phys B 608:412687. https://doi.org/10.1016/j.physb.2020.41268710.1016/j.physb.2020.412687 ↗

17. Zhang H, Wang Z, Xie L, Ma Z, Li H, He X (2022) Extrinsic negative magnetization and exchange bias: impact of the SmCrO3 particle size. Solid State Sci 125:106832. https://doi.org/10.1016/j.solidstatesciences.2022.10683210.1016/j.solidstatesciences.2022.106832 ↗

18. Jebari H, Ouichou H, Hamideddine I, Boudad L, Tahiri N, El Mansouri A, El Bounagui O, Taibi M, Ez-Zahraouy H (2023) First-principles calculations to investigate structural, electronic, optical, thermoelectric, magnetic, and magnetocaloric properties of the orthochromite EuCrO3. Comput Theor Chem 1220:113993. https://doi.org/10.1016/j.comptc.2022.11399310.1016/j.comptc.2022.113993 ↗

19. Hussaina S, Javed MS, Ullah N, Shaheen A, Aslam N, Ashraf I, Abbas Y, Wang M, Liu G, Qiao G (2019) Unique hierarchical mesoporous LaCrO3 perovskite oxides for highly efficient electrochemical energy storage applications. Ceram Int 45:15164–15170. https://doi.org/10.1016/j.ceramint.2019.04.25810.1016/j.ceramint.2019.04.258 ↗

20. Kayhomayun Z, Ghani K, Zargoosh K (2020) Surfactant-assisted synthesis of fluorescent SmCrO3 nanopowder and its application for fast detection of nitroaromatic and nitramine explosives in solution. Mater Chem Phys 247:122899. https://doi.org/10.1016/j.matchemphys.2020.12289910.1016/j.matchemphys.2020.122899 ↗

21. Wan A, Li T, Wang X, Li Z, Huang X, Yin Y, Zhu S, Liu B, Jia L (2023) Enhanced stability of a direct-methane and carbon dioxide protonic ceramic fuel cell with a PrCrO3 based reforming layer. Ceram Int 49:25240–25245. https://doi.org/10.1016/j.ceramint.2023.05.05710.1016/j.ceramint.2023.05.057 ↗

22. Zhang L, Zhao H, Xu S, Liu Q, Li T, Luo Y, Gao S, Shi X, Asiri AM, Sun X (2021) Recent advances in 1D electrospun nanocatalysts for electrochemical water splitting. Small Struct 2:2000048. https://doi.org/10.1002/sstr.20200004810.1002/sstr.202000048 ↗

23. Fan P, Ye C, Xu L (2023) One-dimensional nanostructured electrode materials based on electrospinning technology for supercapacitors. Diam Relat Mater 134:109803. https://doi.org/10.1016/j.diamond.2023.10980310.1016/j.diamond.2023.109803 ↗

24. Kresse G, Joubert D (1999) From ultrasoft pseudopotentials to the projector augmented—wave method. Phys Rev B 59:1758–2177. https://doi.org/10.1103/PhysRevB.59.175810.1103/PhysRevB.59.1758 ↗

25. Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Phys Rev Lett 77:3865–3868. https://doi.org/10.1103/physrevlett.77.386510.1103/physrevlett.77.3865 ↗

26. Tang W, Sanville E, Henkelman G (2009) A grid-based bader analysis algorithm without lattice bias. J Phys Condens Matter 21:084204. https://doi.org/10.1088/0953-8984/21/8/08420410.1088/0953-8984/21/8/084204 ↗

27. Bhadram VS, Swain D, Dhanya R, Polentarutti M, Sundaresan A, Narayana C (2014) Effect of pressure on octahedral distortions in RCrO3 (R = Lu, Tb, Gd, Eu, Sm): the role of R-ion size and its implications. Mater Res Express 1:026111. https://doi.org/10.1088/2053-1591/1/2/02611110.1088/2053-1591/1/2/026111 ↗

28. Singh KD, Pandit R, Kumar R (2018) Effect of rare earth ions on structural and optical properties of specific perovskite orthochromates: RCrO3 (R = La, Nd, Eu, Gd, Dy, and Y). Solid State Sci 85:70–75. https://doi.org/10.1016/j.solidstatesciences.2018.10.00110.1016/j.solidstatesciences.2018.10.001 ↗

29. Jeong J, Song C, Kim K, Sigmund W, Yoon J (2018) Effect of Mn doping on particulate size and magnetic properties of LaFeO3 nanofiber synthesized by electrospinning. J Alloy Compd 749:599–604. https://doi.org/10.1016/j.jallcom.2018.03.35210.1016/j.jallcom.2018.03.352 ↗

30. Pal A, Ghosh S, Joshi AG, Kumar S, Patil S, Gupta PK, Singh P, Gangwar VK, Prakash P, Singh RK, Schwier EF, Sawada M, Shimada K, Ghosh AK, Das A, Chatterjee S (2019) Investigation of multi-mode spin–phonon coupling and local B-site disorder in Pr2CoFeO6 by Raman spectroscopy and correlation with its electronic structure by XPS and XAS studies. J Phys Condens Matter 31:275802. https://doi.org/10.1088/1361-648x/ab144f10.1088/1361-648x/ab144f ↗

31. Baltrus JP, Keller MJ (2019) Rare earth oxides Eu2O3 and Nd2O3 analyzed by XPS. Surf Sci Spectra 26:014001. https://doi.org/10.1116/1.508576810.1116/1.5085768 ↗

32. Sau T, Yadav P, Sharma S, Raghunathan R, Manuel P, Petricek V, Deshpande UP, Lalla NP (2021) High-resolution time of flight neutron diffraction and magnetization studies of spin reorientation and polar transitions in SmCrO3. Phys Rev B 203:144418. https://doi.org/10.1103/PhysRevB.103.14441810.1103/PhysRevB.103.144418 ↗

33. Widatallah HM, Al-Harthi SH, Johnson C, Klencsár Z, Gismelseed AM, Moore EA, Al-Rawas AD, Wynter CI, Brown DE (2011) Formation, cationic site exchange and surface structure of mechanosynthesized EuCrO3 nanocrystalline particles. J Phys D Appl Phys 44:265403. https://doi.org/10.1088/0022-3727/44/26/26540310.1088/0022-3727/44/26/265403 ↗

34. Tavizon G, Barreto J, Mata-Ramírez J, Huerta L, Arenas J, de la Morae P, Duran A (2021) Magnetic and electrical properties by Ca2+ doping in SmCrO3 orthochromites. J Alloy Compd 890:161823. https://doi.org/10.1016/j.jallcom.2021.16182310.1016/j.jallcom.2021.161823 ↗

35. Gao X, Sun Z, Ran J, Li J, Zhang J, Gao D (2020) High efficiency electrocatalyst of LaCr0.5Fe0.5O3 nanoparticles on oxygen-evolution reaction. Sci Rep 10(1):13395. https://doi.org/10.1038/s41598-020-70283-910.1038/s41598-020-70283-9 ↗

36. Chen Y, Huang J, Zhang X, Xu H (2021) Fabrication of hybrid supercapacitor of RGO//PPyNTs/Co(OH)2 based on K3Fe(CN)6 redox-active electrolyte. Electroanal Chem 884:115069. https://doi.org/10.1016/j.jelechem.2021.11506910.1016/j.jelechem.2021.115069 ↗

37. Chen S, Cui S, Chandrasekaran S, Ke C, Li Z, Chen P, Zhang C, Jiang Y (2020) Growth of CuCo2O4@MnMoO4 core/shell nanosheet arrays for high energy density asymmetric supercapacitors. Electrochimi Acta 341:135893. https://doi.org/10.1016/j.electacta.2020.13589310.1016/j.electacta.2020.135893 ↗

38. Xu J, Sun Y, Lu M, Wang L, Zhang J, Qian J, Liu X (2018) Fabrication of hierarchical MnMoO4·H2O@MnO2 core-shell nanosheet arrays on nickel foam as an advanced electrode for asymmetric supercapacitors. Chem Eng J 334:1466–1476. https://doi.org/10.1016/j.cej.2017.11.08510.1016/j.cej.2017.11.085 ↗

39. Dabaghmanesh S, Sarmadian N, Neyts EC, Partoensa B (2017) A first principles study of p-type defects in LaCrO3. Phys Chem Chem Phys 19:22870–22876. https://doi.org/10.1039/c7cp03575f10.1039/c7cp03575f ↗

40. Yaseen M, Ambreen H, Iqbal J, Shahzad A, Zahid R, Kattan NA, Ramay SM, Mahmood A (2020) Electronic, optical and magnetic properties of PrXO3(X = V, Cr): first-principle calculations. Philos Mag 100(24):3125–3140. https://doi.org/10.1080/14786435.2020.181274810.1080/14786435.2020.1812748 ↗

41. Butt MK, Yaseen M, Aldaghfag SA, Murtaza A, Saleem SN (2023) Investigation of structural, electro-magnetic and optical properties of cubic SmXO3 (X = Fe, Mn, Cr) perovskites. Phys Scr 98:115970. https://doi.org/10.1088/1402-4896/ad01f110.1088/1402-4896/ad01f1 ↗

42. Ullah R, Ali MA, Murtaza G, Mahmood A, Ramay SM (2021) An investigation of structural, elastic, mechanical, electronic, magnetic and thermoelectric properties of ferromagnetic half metallic EuCrO3. Mat Sci Semicon Proc 122:105487. https://doi.org/10.1016/j.mssp.2020.10548710.1016/j.mssp.2020.105487 ↗

43. Bettir K, Siad AB, Baira M, Khenata R (2022) Analysis of physical properties of the orthorhombic perovskite compound EuCrO3 using DFT approach. J Solid State Chem 307:122808. https://doi.org/10.1016/j.jssc.2021.12280810.1016/j.jssc.2021.122808 ↗