journal article·2026-04

MgAl2O4: Mn4+ phosphor: Experimental and theoretical approach by density functional theory (DFT)

Mashooq Wani, Tajala Magray, Satish Athawale, Anand Kakde, Pradip Sarawade, Raju Belekar

Applied Physics A· Volume 132· Issue 4
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OpenAlex topics: Luminescence Properties of Advanced Materials · Microwave Dielectric Ceramics Synthesis · Pigment Synthesis and Properties

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References (45)

Show source-provided references
1. Y. Wu, Y. Zhuang, J. Xie, K. Ruan, X. Ouyang, Novel Mn4+ doped red phosphors composed of MgAl2O4 and CaAl12O19phases for light-emitting diodes. Dalton Trans. 49(11), 3606–3614 (2020)10.1039/D0DT00118J ↗
2. M. Robert Schmidt, T. Jüstel, H. Meyer, Synthesis, structure and properties of a calcium oxonitridosilicate phosphor showing green or red luminescence upon doping with Eu2+ or Ce3+. Dalton Trans. 48, 14069 (2019)10.1039/C9DT02564B ↗
3. X. Tang, M. Ackerman, M. Chen, P. Guyot-Sionnest, Dual-band infrared imaging using stacked colloidal quantum dot photodiodes. Nat. Photonics 13, 277 (2019)10.1038/s41566-019-0362-1 ↗
4. E. Song, X. Jiang, Y. Zhou, Z. Lin, S. Ye, Z. Xia, Q. Zhang, Heavy Mn2+ Doped MgAl2O4 Phosphor for High-Efficient Near-Infrared Light-Emitting Diode and the Night-Vision Application. Adv. Opt. Mater. 4, 1901105 (2019)10.1002/adom.201901105 ↗
5. M. Ye, Z. Gao, Z. Li, Y. Yuan, T. Yue, Rapid detection ovolatile compounds in Apple wines using FT-NIR spectroscopy. Food Chem. 190, 701 (2016)10.1016/j.foodchem.2015.05.112 ↗
6. M. Blanco, I. Villarreal, NIR spectroscopy: a rapid-response analytical tool: TrAC, trends. Anal. Chem. 21, 240–2507 (2002)
7. T. Pulli, T. Dönsberg, T. Poikonen, P. Kärhä, E. Ikonen, Advantages of white LED lamps and new detector technology in photometry. Light Sci. Appl. 4, 332 (2015)10.1038/lsa.2015.105 ↗
8. S. Fuchi, Y. Shimizu, K. Watanabe, Y. Takeda, Effects of host glasses on luminescence properties of Sm3+, Pr3+ Co-doped glass. Appl. Phys. Express. 7, 072601 (2014)10.7567/APEX.7.072601 ↗
9. G. String fellow, M. Crawford, Semiconductors and Semimetals, High Brightness Light Emitting Diodes, New York: Academic. 48, (1997) eBook ISBN: 9780080864457
10. J. Xiang, J. Chen, N. Zhang, H. Yao, C. Guo, Enhancement of red emission and site analysis in Eu2+ doped new-type structure Ba3CaK (PO4)3 for plant growth white leds. Dyes Pigm. 154, 257–262 (2018)10.1016/j.dyepig.2018.03.009 ↗
11. J. Xiang, Z. Zheng, H. Zhou, X. Suo, X. Zhao, N. Zhou, M. Zhang, S. Molokeev, C. Guo, Enhancement of red emission and site analysis in Eu2+ doped new-type structure Ba3CaK (PO4)3 for plant growth white leds. Chem. Eng. J. 356, 236–244 (2019)10.1016/j.cej.2018.09.036 ↗
12. Y. Wu, K. Zhuang, R. Ruan, J. Xie, A high-performance non-rare-earth deep-red-emitting Ca14 – xSrxZn6Al10O35:Mn4+ phosphor for high-power plant growth leds. J. Alloys Compd. 781, 702–709 (2019)10.1016/j.jallcom.2018.12.056 ↗
13. J. Liang, P. Dub, H. Guoa, L. Sun, B. Li, X. Huang, High-efficiency and thermal-stable Ca3La(GaO)3(BO3)4: Eu3+ red phosphors excited by near-UV light for white leds. Dyes Pigm. 157, 40–46 (2018)10.1016/j.dyepig.2018.04.039 ↗
14. P. Pust, V. Weiler, C. Hecht, A. Tucks, A.S. Wochnik, A.K. Henss, D. Wiechert, C. Scheu, W. Schnick, Narrow-band red-emitting Sr[LiAl3N4]:Eu2+ as a next-generation LED-phosphor material. Nat. Mater. 13, 891–896 (2014)10.1038/nmat4012 ↗
15. R. Xie, T. Suehiro, F.F. Xu, M. Mitomo, A simple, efficient synthetic route to Sr2Si5N8:Eu2+-based red phosphors for white light emitting diodes. Chem. Mater. 18, 5578–5583 (2006)10.1021/cm061010n ↗
16. R. Xie, O.M. Tenkate, C.Y. Wang, Eu2+-Doped Sr2B2–2x Si2 + 3xAl2–xN8+x:A Boron-Containing Orange-Emitting nitridosilicate with interesting Composition-Dependent photoluminescence properties. Inorg. Chem. 55, 11331–11336 (2016)10.1021/acs.inorgchem.6b01902 ↗
17. F. Xiong, L. Lin, H. Lin, X. Meng, S. Lian, W. Zhu, Synthesis and photoluminescence of Mn4+ in M4Al14O25 (M = Sr or Mg) compounds as red-light phosphors for white LED. Opt. Laser Technol. 117, 299–303 (2019)10.1016/j.optlastec.2019.04.023 ↗
18. J. Liang, B. Deva Kumar, L. Sun, Q. Sun, S. Wang, B. Li, D. Chen, X. Huang, Mn4+ activated KLaMgWO6: a new high-efficiency far-red phosphor for indoor plant growth LEDs. Ceram. Int. 45(4), 4564–4569 (2019)10.1016/j.ceramint.2018.11.143 ↗
19. R. Evarestov, A. Platonenko, Y. Zhukovskii, Site symmetry approach applied to the supercell model of MgAl2O4 spinel with oxygen interstitials: Ab initio calculations. Comput. Mater. Sci. 150, 517–523 (2018)10.1016/j.commatsci.2018.04.007 ↗
20. S. Jiang, T. Lu, Y. Long, J. Chen, Ab initio many-body study of the electronic and optical properties of MgAl2O4 spinel. J. Appl. Phys. 111(4), 43516 (2012)10.1063/1.3686727 ↗
21. M. Wani, R. Belekar, Structural behavior and photoluminescence properties of ytterbium (III) doped lithium aluminates prepared via microwave assisted solution combustion method. J. Sci. Res. 64, 328–333 (2020)
22. D. Baniya, The hydrogen passivated graphene cluster and its stability - first principle DFT (B3LYP) levels of approximation with the basis set 3-21G, Kathford. Journal of Engineering and Management 1(1), 5–10 (2018)
23. Y. Zhang, X. Xu, Machine learning band gaps of doped-TiO2 photocatalysts from structural and morphological parameters. ACS Omega 5(25), 15344–15352 (2020). https://doi.org/10.1021/acsomega.0c0143810.1021/acsomega.0c01438 ↗
24. E. Bruschini., S. Speziale, G.B. Andreozzi, F. Bosi, U. Hålenius, The elasticity of MgAl2O4–MnAl2O4 spinels by Brillouin scattering and an empirical approach for bulk modulus prediction. Am. Mineral. 100, 644 (2015)10.2138/am-2015-4993 ↗
25. K. Izumi, S. Miyazaki, S. Yoshida, T. Mizokawa, E. Hanamura, Optical properties of 3d transition-metal-doped MgAl2O4 spinels. Physics Review B 76, 75111 (2007)10.1103/PhysRevB.76.075111 ↗
26. Pierre, Villars, Springer-Verlag GmbH, Heidelberg, © (Chief Editor), PAULING FILE in: Inorganic Solid Phases, Springer Materials (online database), Springer, Heidelberg (ed.)Springer Materials MgAl2O4 Crystal Structure. (2024). https://materials.springer.com/isp/crystallographic/docs/sd_1230006sd_1230006
27. U. Ålenius, F. Bosi, H. SkogbyGalaxite, MnAl2O4, a spectroscopicstandard for tetrahedrally coordinated Mn2+ in oxygen-based mineral structures. Am. Mineral. 92, 1225 (2007)10.2138/am.2007.2481 ↗
28. E.. Zhitova, S.. Krivovichev, I.. Pekov, V.. Yapaskrut, Crystal chemistry of chlormagaluminite, Mg4Al2(OH)12Cl2(H2O)2, a natural layered double hydroxide. Minerals 9(4), 221 (2019)10.3390/min9040221 ↗
29. A. Kitaigorodsky, Organic Chemical Crystallography (Consultants Bureau, New York, 1961)
30. M. Turner, J. McKinnon, D. Jayatilaka, M. Spackman, Visualization and characterization of voids in crystalline materials. Cryst. Eng. Comm. 13, 1804 (2011)10.1039/C0CE00683A ↗
31. S. Wolff, D. Grimwood, J. McKinnon, M. Turner, D. Jayatilaka, M. Spackman, Crystal Explorer 2.2 (University of Western Australia, Perth, 2010)
32. Y. Iqbal, M. Haroon, T. Akhtar, M. Ashfaq, M. Tahir, L. Rasheed, M. Yousuf, M. Zia, Synthesis, spectroscopic characterization, single crystal XRD, Hirschfeld Surface analysis and theoretical studies (DFT) of 4-adamantyl-(2-(substituted benzylidene) hydrazine) thiazoles. J. Mol. Struct. 5, 133620 (2022)10.1016/j.molstruc.2022.133620 ↗
33. H. Kargar, M. Moghadam, M. Ashfaq, K. Munawar, M. Tahir, Synthesis, crystal structure, spectral characterization, catalytic studies and computational studies of Ni(II) and Pd(II) complexes of symmetrical tetradentate schiff base ligand. J. Coord. Chem. 75, 972–993 (2022)10.1080/00958972.2022.2092846 ↗
34. S. Paswan, S. Kumari, A. Singh, H. Pathak, J.P. Borah, L. Kumar, Optimization of structure-property relationships in nickel ferrite nanoparticles annealed at different temperature. J. Phys. Chem. Solids. 151, 10992 (2021)10.1016/j.jpcs.2020.109928 ↗
35. Y. Abbas, A. Mansour, S. Ali, A. Ibrahim, Investigation of structural and magnetic properties of multiferroic La1 − xYxFeO3 perovskites, prepared by citrate auto-combustion technique. J. Magn. Magn. Mater. 482, 66–74 (2019)10.1016/j.jmmm.2019.03.056 ↗
36. O. Singh, A. Agarwal, S. Sanghi, J. Singh, Variation of crystal structure, magnetization, and dielectric properties of Nd and Ba co-doped BiFeO3 multiferroics. Int. J. Appl. Ceram. Technol. 16, 119–129 (2019)10.1111/ijac.13052 ↗
37. R. John Xavier, E. Gobinath, Experimental and theoretical spectroscopic studies, HOMO–LUMO, NBO and NLMO analysis of 3,5-dibromo-2,6-dimethoxy pyridine. Spectrochim. Acta A Mol. Biomol. Spectrosc. 97, 215–222 (2012)10.1016/j.saa.2012.06.008 ↗
38. S. Milani, M. Kakroudi, N. Vafa, S. Rahro, F. Behboud, Synthesis and characterization of MgAl2O4 spinel precursor sol prepared by inorganic salts. Ceram. Int. 4, 4813–4819 (2021)10.1016/j.ceramint.2020.10.051 ↗
39. H. Ji, X. Hou, M. Molokeev, J. Ueda, S. Tanabe, M. Brik, Z. Zhang, Y. Wang, D. Chen, Ultrabroad band red luminescence of Mn4+ in MgAl2O4 peaking at 651 nm. Dalton Trans. 49, 5711–5721 (2020)10.1039/D0DT00931H ↗
40. H. Patnam, K. Hussain, J. Yu, Rare-earth-free Mn4+ ions activated Ba2YSbO6 phosphors for solid-state lighting, flexible display, and anti-counterfeiting applications. Ceram. Int. 49(2), 2967–2977 (2023)10.1016/j.ceramint.2022.09.281 ↗
41. T. Moon, G.Y. Hong, H.C. Lee, E.A. Moon, S. Kim, B.G. Ryu, Effects of Eu2+ co-doping on V-UV photoluminescence properties of BaMgAl10O17:Mn2+ phosphors for plasma display panels. Electrochem. Solid- State Letter 12, J61 (2009)10.1149/1.3126528 ↗
42. Z. Wang, H. Ji, J. Xu, X. Hou, J. Ueda, S. Tanabe, S. Yi, Y. Zhou, D. Chen, Microsized red luminescent MgAl2O4:Mn4 + single-crystal phosphor grown in molten salt for white LEDs. Inorg Chem 59(24), 18374–18383 (2020)10.1021/acs.inorgchem.0c03005 ↗
43. A.S. Kakde, G.C. Wakde, M.A. Wani, R.M. Belekar, Exploration of Ce +3 substitution on electron density distribution, optical, and magnetic properties of Ni-Co-Zn spinel nano-ferrites. J Sol-Gel Sci Technol 107, 401–416 (2023)10.1007/s10971-023-06121-x ↗
44. M. Wani, S. Dhoble, R. Belekar, Synthesis, characterization and spectroscopic properties of some rare earth activated LiAlO2 phosphor. Optik 226(1), 165938 (2021)10.1016/j.ijleo.2020.165938 ↗
45. R.M. Belekar, Suppression of coke formation during reverse water-gas shift reaction for CO2 conversion using highly active Ni/Al2O3-CeO2 catalyst material. Phys. Lett. A 395, 127206 (2021)10.1016/j.physleta.2021.127206 ↗