Unraveling the MnMoO4 polymorphism: a comprehensive DFT investigation of α, β, and ω phases
Source abstract
Abstract
The MnMoO4 is an environmentally friendly semiconductor material widely employed in technological devices. This material can be obtained on three different polymorphs, and although such phases were reported decades ago, some obscurity over their structure and properties is still perceived. Thus, this work provides a comprehensive DFT investigation of the α, β, and ω phases of MnMoO4, analyzing their crystalline structure, stability, and electronic and magnetic properties. The results show that all phases of MnMoO4 are stable at room conditions connected by pressure application or long-time high-temperature treatment. The MnMoO4 phases are G-type antiferromagnetic with semiconductor bandgap and have enormous potential to develop magnetic, optical, and electronic devices and photocatalytic-based processes. The results also evidence potential antiviral and antibacterial activities of the three MnMoO4 polymorphs. Graphical abstract Supplementary information The online version contains supplementary material available at 10.1007/s10853-022-07277-7.
Source: europepmc · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Pigment Synthesis and Properties · Luminescence Properties of Advanced Materials · Transition Metal Oxide Nanomaterials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (100+)
Show source-provided references
1. Yesuraj J, Elumalai V, Bhagavathiachari M, Samuel AS, Elaiyappillai E, Johnson PM (2017) A facile sonochemical assisted synthesis of α-MnMoO4/PANI nanocomposite electrode for supercapacitor applications. J Electroanal Chem 797:78. https://doi.org/10.1016/j.jelechem.2017.05.01910.1016/j.jelechem.2017.05.019 ↗
2. Watcharatharapong T, Minakshi Sundaram M, Chakraborty S et al (2017) Effect of transition metal cations on stability enhancement for molybdate-based hybrid supercapacitor. ACS Appl Mater Interfaces 9:17977. https://doi.org/10.1021/acsami.7b0383610.1021/acsami.7b03836 ↗
3. Kang YM, Cao A, Clément R, Chou SL, Lee SY, Miao Z (2022) Battery technology and sustainable energy storage and conversion as a new energy resource replacing fossil fuels. Battery Energy 1:20220200. https://doi.org/10.1002/bte2.2022020010.1002/bte2.20220200 ↗
4. Qiao F, Sun K, Chu H et al (2022) Design strategies of ZnO heterojunction arrays towards effective photovoltaic applications. Battery Energy 1:20210008. https://doi.org/10.1002/bte2.2021000810.1002/bte2.20210008 ↗
5. Li P, Kim H, Ming J, Jung HG, Belharouak I, Sun YK (2021) Quasi-compensatory effect in emerging anode-free lithium batteries. eScience 1:3. https://doi.org/10.1016/j.esci.2021.10.00210.1016/j.esci.2021.10.002 ↗
6. Zhu YF, Xiao Y, Dou S-X, Kang YM, Chou SL (2021) Spinel/Post-spinel engineering on layered oxide cathodes for sodium-ion batteries. eScience 1:13. https://doi.org/10.1016/j.esci.2021.10.00310.1016/j.esci.2021.10.003 ↗
7. Ye S, Wang L, Liu F, Shi P, Yu Y (2021) Integration of homogeneous and heterogeneous nucleation growth via 3D alloy framework for stable Na/K metal anode. eScience 1:75. https://doi.org/10.1016/j.esci.2021.09.00310.1016/j.esci.2021.09.003 ↗
8. Zhu Z, Sun Y, Li C et al (2021) Mini-review: progress on micro/nanoscale MnMoO4 as an electrode material for advanced supercapacitor applications. Mater Chem Front 5:7403. https://doi.org/10.1039/D1QM00914A10.1039/D1QM00914A ↗
9. Sekar C, Selvan RK, Senthilkumar ST, Senthilkumar B, Sanjeeviraja C (2012) Combustion synthesis and characterization of spherical α-MnMoO4 nanoparticles. Powder Technol 215–216:98. https://doi.org/10.1016/j.powtec.2011.09.01610.1016/j.powtec.2011.09.016 ↗
10. Peng C, Gao L, Yang S, Sun J (2008) A general precipitation strategy for large-scale synthesis of molybdate nanostructures. Chem Commun. https://doi.org/10.1039/B812033A10.1039/B812033A ↗
11. Guan B, Sun W, Wang Y (2016) Carbon-coated MnMoO4 nanorod for high-performance lithium-ion batteries. Electrochim Acta 190:354. https://doi.org/10.1016/j.electacta.2016.01.00810.1016/j.electacta.2016.01.008 ↗
12. Srirapu VKVP, Kumar M, Awasthi R, Singh RN, Sinha ASK (2013) Manganese molybdate and its Fe-substituted products as new efficient electrocatalysts for oxygen evolution in alkaline solutions. Int J Hydrogen Energy 38:13587. https://doi.org/10.1016/j.ijhydene.2013.08.02810.1016/j.ijhydene.2013.08.028 ↗
13. Cao Y, Li W, Xu K et al (2014) MnMoO4·4H2O nanoplates grown on a Ni foam substrate for excellent electrochemical properties. J Mater Chem A 2:20723. https://doi.org/10.1039/C4TA04019H10.1039/C4TA04019H ↗
14. Mai L-Q, Yang F, Zhao Y-L, Xu X, Xu L, Luo Y-Z (2011) Hierarchical MnMoO4/CoMoO4 heterostructured nanowires with enhanced supercapacitor performance. Nat Commun 2:381. https://doi.org/10.1038/ncomms138710.1038/ncomms1387 ↗
15. Feng X, Huang Y, Chen M et al (2018) Self-assembly of 3D hierarchical MnMoO4/NiWO4 microspheres for high-performance supercapacitor. J Alloy Compd 763:801. https://doi.org/10.1016/j.jallcom.2018.06.02510.1016/j.jallcom.2018.06.025 ↗
16. Isacfranklin M, Rani BJ, Ravi G et al (2020) Hydrothermal method-derived MnMoO4 crystals: effect of cationic surfactant on microstructures and electrochemical properties. ChemistrySelect 5:7728. https://doi.org/10.1002/slct.20200138410.1002/slct.202001384 ↗
17. Ghosh D, Giri S, Moniruzzaman M, Basu T, Mandal M, Das CK (2014) α MnMoO4/graphene hybrid composite: high energy density supercapacitor electrode material. Dalton Trans 43:11067. https://doi.org/10.1039/C4DT00672K10.1039/C4DT00672K ↗
18. Lee GH, Lee S, Kim JC, Kim DW, Kang Y, Kim D-W (2017) MnMoO4 electrocatalysts for superior long-life and high-rate lithium-oxygen batteries. Adv Energy Mater 7:1601741. https://doi.org/10.1002/aenm.20160174110.1002/aenm.201601741 ↗
19. Wen L, Sun Y, Zhang T et al (2018) MnMoO4 nanosheet array: an efficient electrocatalyst for hydrogen evolution reaction with enhanced activity over a wide pH range. Nanotechnology 29:335403. https://doi.org/10.1088/1361-6528/aac85110.1088/1361-6528/aac851 ↗
20. Sharma CS, Awasthi R, Singh RN (2013) Use of Pd–MnMoO4–graphene hybrids as efficient and CO poisoning tolerant electrocatalysts for methanol oxidation. Int J Hydrogen Energy 38:15388. https://doi.org/10.1016/j.ijhydene.2013.09.09110.1016/j.ijhydene.2013.09.091 ↗
21. Wei H, Yang J, Zhang Y, Qian Y, Geng H (2018) Rational synthesis of graphene-encapsulated uniform MnMoO4 hollow spheres as long-life and high-rate anodes for lithium-ion batteries. J Colloid Interface Sci 524:256. https://doi.org/10.1016/j.jcis.2018.03.10010.1016/j.jcis.2018.03.100 ↗
22. Ding Y, Wan Y, Min Y-L, Zhang W, Yu S-H (2008) General synthesis and phase control of metal molybdate hydrates MMoO4·nH2O (M = Co, Ni, Mn, n = 0, 3/4, 1) nano/microcrystals by a hydrothermal approach: magnetic, photocatalytic, and electrochemical properties. Inorg Chem 47:7813. https://doi.org/10.1021/ic800797510.1021/ic8007975 ↗
23. Yi D, Hui F, Fengjun Z, Youchun F, Qicai Z (2017) Preparation of MnMoO4·XH2O (X=0.9, 1.5) by a microemulsion method under different manganese precursors and analysis of their band-gap energy. Rare Metal Mater Eng 46:68. https://doi.org/10.1016/S1875-5372(17)30079-610.1016/S1875-5372(17)30079-6 ↗
24. Cao H, Wu N, Liu Y, Wang S, Du W, Liu J (2017) Facile synthesis of rod-like manganese molybdate crystallines with two-dimentional nanoflakes for supercapacitor application. Electrochim Acta 225:605. https://doi.org/10.1016/j.electacta.2017.01.02110.1016/j.electacta.2017.01.021 ↗
25. Srirapu VKVP, Kumar A, Kumari N, Srivastava P, Singh RN (2018) A comparative study of electrocatalytic performance of metal molybdates for the water oxidation. Int J Hydrogen Energy 43:16543. https://doi.org/10.1016/j.ijhydene.2018.07.06010.1016/j.ijhydene.2018.07.060 ↗
26. Ochsenbein ST, Chaboussant G, Sieber A et al (2003) Magnetic cluster excitations in the antiferromagnetic phase of α-MnMoO4. Phys Rev B 68:092410. https://doi.org/10.1103/PhysRevB.68.09241010.1103/PhysRevB.68.092410 ↗
27. Abrahams SC, Reddy JM (1965) Crystal Structure of the transition-metal molybdates. I. paramagnetic alpha-MnMoO4. J Chem Phys 43:2533. https://doi.org/10.1063/1.169715310.1063/1.1697153 ↗
28. Martins GM, Coelho PO, Siqueira KPF, Moreira RL, Dias A (2018) Investigation of polymorphism and vibrational properties of MnMoO4 microcrystals prepared by a hydrothermal process. Cryst Growth Des 18:2474. https://doi.org/10.1021/acs.cgd.8b0010210.1021/acs.cgd.8b00102 ↗
29. Muthamizh S, Kumar SP, Munusamy S, Narayanan V (2018) MnMoO4 nanolayers: synthesis characterizations and electrochemical detection of QA. AIP Conf Proc 1942:050113. https://doi.org/10.1063/1.502874410.1063/1.5028744 ↗
30. Lei S, Tang K, Liu Q, Fang Z, Yang Q, Zheng H (2006) Preparation of manganese molybdate rods and hollow olive-like spheres. J Mater Sci 41:4737. https://doi.org/10.1007/s10853-006-0044-510.1007/s10853-006-0044-5 ↗
31. Zhang C, Wu D, Shi L et al (2017) Manganese molybdate nanoflakes on silicon microchannel plates as novel nano energetic material. R Soc Open Sci 4:171229. https://doi.org/10.1098/rsos.17122910.1098/rsos.171229 ↗
32. Jang M, Weakley TJR, Doxsee KM (2001) Aqueous crystallization of manganese(II) group 6 metal oxides. Chem Mater 13:519. https://doi.org/10.1021/cm000754c10.1021/cm000754c ↗
33. Mu X, Zhang Y, Wang H et al (2016) A high energy density asymmetric supercapacitor from ultrathin manganese molybdate nanosheets. Electrochim Acta 211:217. https://doi.org/10.1016/j.electacta.2016.06.07210.1016/j.electacta.2016.06.072 ↗
34. Mu X, Du J, Zhang Y et al (2017) Construction of Hierarchical CNT/rGO-supported MnMoO4 nanosheets on Ni foam for high-performance aqueous hybrid supercapacitors. ACS Appl Mater Interfaces 9:35775. https://doi.org/10.1021/acsami.7b0900510.1021/acsami.7b09005 ↗
35. Chen X, Chen D, Li N et al (2019) Durable and stable MnMoO4-coated copper mesh for highly efficient oil-in-water emulsion separation and photodegradation of organic contaminants. ACS Appl Mater Interfaces 11:23789. https://doi.org/10.1021/acsami.9b0709110.1021/acsami.9b07091 ↗
36. Xu J, Sun Y, Lu M et al (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. https://doi.org/10.1016/j.cej.2017.11.08510.1016/j.cej.2017.11.085 ↗
37. Dovesi R, Erba A, Orlando R et al (2018) Quantum-mechanical condensed matter simulations with CRYSTAL, Wiley Interdisciplinary Reviews: Computational Molecular. Science 8:e1360. https://doi.org/10.1002/wcms.136010.1002/wcms.1360 ↗
38. Dovesi R, Orlando R, Civalleri B, Roetti C, Saunders VR, Zicovich-Wilson C-M (2005) CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals. Z Kristallogr 220:57110.1524/zkri.220.5.571.65065 ↗
39. Towler MD, Allan NL, Harrison NM, Saunders VR, Mackrodt WC, Aprà E (1994) Ab initio study of MnO and NiO. Phys Rev B 50:504110.1103/PhysRevB.50.5041 ↗
40. Cora F, Patel A, Harrison NM, Roetti C, Richard C, Catlow A (1997) An ab initio Hartree-Fock study of α-MoO3. J Mater Chem 7:959. https://doi.org/10.1039/A607439A10.1039/A607439A ↗
41. Doll K, Harrison NM (2000) Chlorine adsorption on the Cu (111) surface. Chem Phys Lett 317:282. https://doi.org/10.1016/S0009-2614(99)01362-710.1016/S0009-2614(99)01362-7 ↗
42. Monkhorst HJ, Pack JD (1976) Special points for Brillouin-zone integrations. Phys Rev B 13:518810.1103/PhysRevB.13.5188 ↗
43. Pisani C, Dovesi R, Roetti C (1988) Hartree-Fock ab initio treatment of crystalline systems. Springer, Heidelberg10.1007/978-3-642-93385-1 ↗
44. Birch F (1947) Finite elastic strain of cubic crystals. Phys Rev 71:80910.1103/PhysRev.71.809 ↗
45. Murnaghan FD (1944) The compressibility of media under extreme pressures. Proc Natl Acad Sci 30:24410.1073/pnas.30.9.244 ↗
46. Pascale F, Zicovich-Wilson CM, López Gejo F, Civalleri B, Orlando R, Dovesi R (2004) The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code. J Comput Chem 25:888. https://doi.org/10.1002/jcc.2001910.1002/jcc.20019 ↗
47. Wang Y, Wang JJ, Wang WY et al (2010) A mixed-space approach to first-principles calculations of phonon frequencies for polar materials. J Phys: Condens Matter 22:202201. https://doi.org/10.1088/0953-8984/22/20/20220110.1088/0953-8984/22/20/202201 ↗
48. Patil SB, Kishore B, Nagaraj MK, Ganganagappa N, Velu U (2018) Mesoporous MnMoO4 nanorods for enhanced electrochemical performance. ChemistrySelect 3:7490. https://doi.org/10.1002/slct.20180080310.1002/slct.201800803 ↗
49. Dutta DP, Mathur A, Ramkumar J, Tyagi AK (2014) Sorption of dyes and Cu(ii) ions from wastewater by sonochemically synthesized MnWO4 and MnMoO4 nanostructures. RSC Adv 4:37027. https://doi.org/10.1039/C4RA07618D10.1039/C4RA07618D ↗
50. da Silveira Lacerda LH, de Lazaro SR (2020) A broad theoretical investigation of R-3, R3c and R-3c polymorphs of FeCrO3. J Am Ceram Soc 103:5688. https://doi.org/10.1111/jace.1727610.1111/jace.17276 ↗
51. Beltrán A, Gracia L, Andrés J (2019) Polymorphs of ZnV2O6 under pressure: a first-principle investigation. J Phys Chem C 123:3239. https://doi.org/10.1021/acs.jpcc.8b1251510.1021/acs.jpcc.8b12515 ↗
52. Beltrán A, Gracia L, Andrés J, Longo E (2017) First-principles study on polymorphs of AgVO3: assessing to structural stabilities and pressure-induced transitions. J Phys Chem C 121:27624. https://doi.org/10.1021/acs.jpcc.7b0986510.1021/acs.jpcc.7b09865 ↗
53. Gupta MK, Mittal R, Chaplot SL, Rols S (2014) Phonons, nature of bonding, and their relation to anomalous thermal expansion behavior of M2O (M = Au, Ag, Cu). J Appl Phys 115:093507. https://doi.org/10.1063/1.486743710.1063/1.4867437 ↗
54. Ehrenberg H, Schwarz B, Weitzel H (2006) Magnetic phase diagrams of α-MnMoO4. J Magn Magn Mater 305:57. https://doi.org/10.1016/j.jmmm.2005.11.02710.1016/j.jmmm.2005.11.027 ↗
55. Lippold B, Herrmann J, Reichelt W, Oppermann H (1991) Preparation and magnetic investigations on MnMoO4 single crystals. Phys Stat Sol (a) 124:59. https://doi.org/10.1002/pssa.221124014910.1002/pssa.2211240149 ↗
56. Lautenschläger G, Weitzel H, Fuess H, Ressouche E (1994) The magnetic structure of α-MnMoO4. Zeitschrift Fur Kristallographie 209:936
57. Ribeiro RAP, de Lazaro SR, Pianaro SA (2015) Density functional theory applied to magnetic materials: Mn3O4 at different hybrid functionals. J Magn Magn Mater 391:166. https://doi.org/10.1016/j.jmmm.2015.04.09110.1016/j.jmmm.2015.04.091 ↗
58. Chartier A, D’Arco P, Dovesi R, Saunders VR (1999) Ab initio Hartree-Fock investigation of the structural, electronic, and magnetic properties of Mn3O4. Phys Rev B 60:1404210.1103/PhysRevB.60.14042 ↗
59. Feng X, Harrison NM (2004) Magnetic coupling constants from a hybrid density functional with 35% Hartree-Fock exchange. Phys Rev B 70:09240210.1103/PhysRevB.70.092402 ↗
60. da Silveira Lacerda LH, de Lazaro SR (2021) Surface and morphology investigation of FeCrO3 material in ilmenite-, corundum- and lithium niobate- polymorphs. Surf Interfaces 22:100837. https://doi.org/10.1016/j.surfin.2020.10083710.1016/j.surfin.2020.100837 ↗
61. Toyoda M, Yamauchi K, Oguchi T (2013) Ab initio study of magnetic coupling in CaCu3B4O12 (B = Ti, Ge, Zr, and Sn). Phys Rev B, Condens Matter Mater Phys 87:224430. https://doi.org/10.1103/PhysRevB.87.22443010.1103/PhysRevB.87.224430 ↗
62. Liechtenstein AI, Katsnelson MI, Antropov VP, Gubanov VA (1987) Local spin density functional approach to the theory of exchange interactions in ferromagnetic metals and alloys. J Magn Magn Mater 67:65. https://doi.org/10.1016/0304-8853(87)90721-910.1016/0304-8853(87)90721-9 ↗
63. Attfield JP (1990) Ferromagnetic exchange in α-manganese molybdate and the structural consequences. J Phys: Condens Matter 2:6999. https://doi.org/10.1088/0953-8984/2/33/01210.1088/0953-8984/2/33/012 ↗
64. Oba F, Kumagai Y (2018) Design and exploration of semiconductors from first principles: a review of recent advances. Appl Phys Express 11:060101. https://doi.org/10.7567/apex.11.06010110.7567/apex.11.060101 ↗
65. Freysoldt C, Grabowski B, Hickel T et al (2014) First-principles calculations for point defects in solids. Rev Mod Phys 86:253. https://doi.org/10.1103/RevModPhys.86.25310.1103/RevModPhys.86.253 ↗
66. Kumagai Y, Choi M, Nose Y, Oba F (2014) First-principles study of point defects in chalcopyrite SnSnP2. Phys Rev B 90:125202. https://doi.org/10.1103/PhysRevB.90.12520210.1103/PhysRevB.90.125202 ↗
67. Persson C, Zhao Y-J, Lany S, Zunger A (2005) n-type doping of CuInSe2 and CuGaSe2. Phys Rev B 72:035211. https://doi.org/10.1103/PhysRevB.72.03521110.1103/PhysRevB.72.035211 ↗
68. Sun R, Chan MKY, Kang S, Ceder G (2011) Intrinsic stoichiometry and oxygen-induced p-type conductivity of pyrite FeS2. Phys Rev B 84:035212. https://doi.org/10.1103/PhysRevB.84.03521210.1103/PhysRevB.84.035212 ↗
69. Yu J, Zhou P, Li Q (2013) New insight into the enhanced visible-light photocatalytic activities of B-, C- and B/C-doped anatase TiO2 by first-principles. Phys Chem Chem Phys 15:12040. https://doi.org/10.1039/C3CP44651D10.1039/C3CP44651D ↗
70. Zhou P, Yu J, Wang Y (2013) The new understanding on photocatalytic mechanism of visible-light response NS codoped anatase TiO2 by first-principles. Appl Catal B 142–143:45. https://doi.org/10.1016/j.apcatb.2013.04.06310.1016/j.apcatb.2013.04.063 ↗
71. Ma X, Dai Y, Guo M, Huang B (2012) the role of effective mass of carrier in the photocatalytic behavior of silver halide-based Ag@AgX (X = Cl, Br, I): a theoretical study. ChemPhysChem 13:2304. https://doi.org/10.1002/cphc.20120015910.1002/cphc.201200159 ↗
72. Soares GB, Ribeiro RAP, de Lazaro SR, Ribeiro C (2016) Photoelectrochemical and theoretical investigation of the photocatalytic activity of TiO2:N. RSC Adv 6:89687. https://doi.org/10.1039/C6RA15825K10.1039/C6RA15825K ↗
73. Gao N, Quan C, Ma Y et al (2016) Experimental and first principles investigation of the multiferroics BiFeO3 and Bi0.9Ca0.1FeO3: structure, electronic, optical and magnetic properties. Phys B: Condens Matter 481:45. https://doi.org/10.1016/j.physb.2015.10.01910.1016/j.physb.2015.10.019 ↗
74. Gu Y, Zhao J, Zhang W, Zheng H, Liu L, Chen W (2017) Structural transformation and multiferroic properties of Sm and Ti co-doped BiFeO3 ceramics with Fe vacancies. Ceram Int 43:14666. https://doi.org/10.1016/j.ceramint.2017.07.18710.1016/j.ceramint.2017.07.187 ↗
75. Das A, De S, Bandyopadhyay S, Chatterjee S, Das D (2017) Magnetic, dielectric and magnetoelectric properties of BiFeO3-CoFe2O4 nanocomposites. J Alloy Compd 697:353. https://doi.org/10.1016/j.jallcom.2016.12.12810.1016/j.jallcom.2016.12.128 ↗
76. Murtaza T, Ali J, Khan MS, Asokan K (2018) Structural, electrical and magnetic properties of multiferroic BiFeO3–SrTiO3 composites. J Mater Sci: Mater Electron 29:2110. https://doi.org/10.1007/s10854-017-8123-810.1007/s10854-017-8123-8 ↗
77. Zhang R-z, X-y Hu, Guo P, Wang C-l (2012) Thermoelectric transport coefficients of n-doped CaTiO3, SrTiO3 and BaTiO3: a theoretical study. Phys B 407:1114. https://doi.org/10.1016/j.physb.2012.01.08310.1016/j.physb.2012.01.083 ↗
78. Dasmahapatra A, Daga LE, Karttunen AJ, Maschio L, Casassa S (2020) The key role of defects in thermoelectric performance of TiMSn(M = Ni, Pd, Pt) half-heusler alloys. J Phys Chem C. https://doi.org/10.1021/acs.jpcc.0c0324310.1021/acs.jpcc.0c03243 ↗
79. Cohen AJ, Mori-Sanchez P, Yang W (2008) Fractional charge perspective on the band gap in density-functional theory. Physi Rev B 77:115123. https://doi.org/10.1103/PhysRevB.77.11512310.1103/PhysRevB.77.115123 ↗
80. Yue C, Lu X, Zhang J, Huang F, Zhu J (2019) Ferroelectric surface chemistry: First-principles study of adsorption on the stoichiometric LiNbO3 (0001) surface. Phys Rev B 100:245432. https://doi.org/10.1103/PhysRevB.100.24543210.1103/PhysRevB.100.245432 ↗
81. Silva J, Reyes A, Esparza H, Camacho H, Fuentes L (2011) BiFeO3: a review on synthesis, doping and crystal structure. Integr Ferroelectr 126:47. https://doi.org/10.1080/10584587.2011.57498610.1080/10584587.2011.574986 ↗
82. Jing T, Dai Y, Ma X, Wei W, Huang B (2015) Electronic structure and photocatalytic water-splitting properties of Ag2ZnSn(S1– xSex)4. J Phys Chem C 119:27900. https://doi.org/10.1021/acs.jpcc.5b0952210.1021/acs.jpcc.5b09522 ↗
83. Liu JJ, Fu XL, Chen SF, Zhu YF (2011) Electronic structure and optical properties of Ag3PO4 photocatalyst calculated by hybrid density functional method. Appl Phys Lett 99:191903. https://doi.org/10.1063/1.366031910.1063/1.3660319 ↗
84. Mousavi M, Habibi-Yangjeh A, Abitorabi M (2016) Fabrication of novel magnetically separable nanocomposites using graphitic carbon nitride, silver phosphate and silver chloride and their applications in photocatalytic removal of different pollutants using visible-light irradiation. J Colloid Interface Sci 480:218. https://doi.org/10.1016/j.jcis.2016.07.02110.1016/j.jcis.2016.07.021 ↗
85. Lipsky F, da Silveira Lacerda LH, de Lazaro SR, Longo E, Andrés J, San-Miguel MA (2020) Unraveling the relationship between exposed surfaces and the photocatalytic activity of Ag3PO4: an in-depth theoretical investigation. RSC Adv 10:30640. https://doi.org/10.1039/D0RA06045C10.1039/D0RA06045C ↗
86. Dong H, Sun J, Chen G, Li C, Hu Y, Lv C (2014) An advanced Ag-based photocatalyst Ag2Ta4O11 with outstanding activity, durability and universality for removing organic dyes. Phys Chem Chem Phys 16:23915. https://doi.org/10.1039/C4CP03494E10.1039/C4CP03494E ↗
87. Miyauchi M, Sunada K, Hashimoto K (2020) Antiviral effect of visible light-sensitive CuxO/TiO2 photocatalyst. Catalysts 10:109310.3390/catal10091093 ↗
88. Paiva CN, Bozza MT (2013) Are reactive oxygen species always detrimental to pathogens? Antioxid Redox Signal 20:1000. https://doi.org/10.1089/ars.2013.544710.1089/ars.2013.5447 ↗
89. Dong X, Liang W, Meziani MJ, Sun Y-P, Yang L (2020) Carbon dots as potent antimicrobial agents. Theranostics 10:671. https://doi.org/10.7150/thno.3986310.7150/thno.39863 ↗
90. Olagnier D, Peri S, Steel C et al (2014) Cellular oxidative stress response controls the antiviral and apoptotic programs in dengue virus-infected dendritic cells. PLoS Pathog 10:e1004566. https://doi.org/10.1371/journal.ppat.100456610.1371/journal.ppat.1004566 ↗
91. Wang D, Zhu Y, Wan X, Zhang X, Zhang J (2020) Colloidal semiconductor nanocrystals for biological photodynamic therapy applications: recent progress and perspectives. Prog Nat Sci: Mater Int 30:443. https://doi.org/10.1016/j.pnsc.2020.08.01610.1016/j.pnsc.2020.08.016 ↗
92. Skulachev VP (1998) Possible role of reactive oxygen species in antiviral defense. Biochemistry (Mosc) 63:1438
93. Wang D, Zhao L, Ma H, Zhang H, Guo L-H (2017) Quantitative analysis of reactive oxygen species photogenerated on metal oxide nanoparticles and their bacteria toxicity: the role of superoxide radicals. Environ Sci Technol 51:10137. https://doi.org/10.1021/acs.est.7b0047310.1021/acs.est.7b00473 ↗
94. Sirelkhatim A, Mahmud S, Seeni A et al (2015) Review on zinc oxide nanoparticles: antibacterial activity and toxicity mechanism. Nano-Micro Lett 7:219. https://doi.org/10.1007/s40820-015-0040-x10.1007/s40820-015-0040-x ↗
95. Toledo GG, Toledo VH, Lanfredi AJC et al (2020) Promising nanostructured materials against enveloped virus. An Acad Bras Cienc. https://doi.org/10.1590/0001-376520202020071810.1590/0001-3765202020200718 ↗
96. He W, Cai J, Jiang X, Yin J-J, Meng Q (2018) Generation of reactive oxygen species and charge carriers in plasmonic photocatalytic Au@TiO2 nanostructures with enhanced activity. Phys Chem Chem Phys 20:16117. https://doi.org/10.1039/C8CP01978A10.1039/C8CP01978A ↗
97. da Silveira Lacerda LH, San-Miguel MA (2021) DFT approaches unraveling the surface and morphological properties of MnMoO4. Appl Surf Sci. https://doi.org/10.1016/j.apsusc.2021.15088210.1016/j.apsusc.2021.150882 ↗
98. Wang M, Li C, Sun Y et al (2021) A Li3VO4 micro/nanoscale anode with fast ion transportation for advanced lithium-ion batteries: a mini-review. J Mater Chem C 9:14981. https://doi.org/10.1039/D1TC03757A10.1039/D1TC03757A ↗
99. Sun Y, Li C, Yang C et al (2022) Novel Li3VO4 nanostructures grown in highly efficient microwave irradiation strategy and their in-situ lithium storage mechanism. Adv Sci 9:2103493. https://doi.org/10.1002/advs.20210349310.1002/advs.202103493 ↗
100. da Silveira Lacerda LH, Longo E, Andrés J, San-Miguel MA (2022) A diagnosis approach for semiconductor properties evaluation from ab initio calculations: Ag-based materials investigation. J Solid State Chem 305:122670. https://doi.org/10.1016/j.jssc.2021.12267010.1016/j.jssc.2021.122670 ↗