References
- Shahiduzzaman M, Kulkarni A, Visal S, et al. A single-phase brookite TiO2 nanoparticle bridge enhances the stability of perovskite solar cells. Sustain Energy Fuels. 2020;4:2009–2017. doi:10.1039/C9SE01133A.
- Bai J, Zhou B. Titanium dioxide nanomaterials for sensor applications. Chem Rev. 2014;114:10131–10176. doi:10.1021/cr400625j.
- Ghannadi S, Abdizadeh H, Rakhsha A, et al. Sol-electrophoretic deposition of TiO2 nanoparticle/nanorod array for photoanode of dye-sensitized solar cell. Mater Chem Phys. 2021;258:123893. Available from: http://www.sciencedirect.com/science/article/pii/S0254058420312529.
- Rajh T, Dimitrijevic NM, Bissonnette M, et al. Titanium dioxide in the service of the biomedical revolution. Chem Rev. 2014;114:10177–10216. doi:10.1021/cr500029g.
- Nejad HE, Mir A, Farmani A. Supersensitive and tunable nano-biosensor for cancer detection. IEEE Sens J. 2019;19:4874–4881.
- Zhang Y, Fan W, Du HQ, et al. Study on photocatalytic performance of TiO2 and Fe3+/TiO2 coatings. Surf Eng. 2017;33:849–856. doi:10.1080/02670844.2017.1323434.
- Zhou X, Dong H. A theoretical perspective on charge separation and transfer in metal oxide photocatalysts for water splitting. Chem Cat Chem. 2019;11:3688–3715. doi:10.1002/cctc.201900567.
- Khan MM, Kalathil S, Lee J, et al. Enhancement in the photocatalytic activity of Au@TiO2 nanocomposites enhancement in the photocatalytic activity of Au@TiO 2 nanocomposites by pretreatment of TiO2 with UV light. Bull Korean Chem Soc. 2012;33:1753–1758.
- Alotaibi AM, Williamson BAD, Sathasivam S, et al. Enhanced photocatalytic and antibacterial ability of Cu-doped anatase TiO2 thin films: theory and experiment. ACS Appl Mater Interfaces. 2020;12:15348–15361. doi:10.1021/acsami.9b22056.
- de los Santos DM, Navas J, Sánchez-Coronilla A, et al. Highly Al-doped TiO2 nanoparticles produced by ball mill method: structural and electronic characterization. Mater Res Bull. 2015;70:704–711. Available from: http://www.sciencedirect.com/science/article/pii/S0025540815003785.
- Banerjee B, Amoli V, Maurya A, et al. Green synthesis of Pt-doped TiO2 nanocrystals with exposed (001) facets and mesoscopic void space for photo-splitting of water under solar irradiation. Nanoscale. 2015;7:10504–10512. doi:10.1039/C5NR02097B.
- Yang Y, Ni D, Yao Y, et al. High photocatalytic activity of carbon doped TiO2 prepared by fast combustion of organic capping ligands. RSC Adv. 2015;5:93635–93643. doi:10.1039/C5RA19058D.
- Bidaye PP, Khushalani D, Fernandes JB. A simple method for synthesis of S-doped TiO2 of high photocatalytic activity. Catal Lett. 2010;134:169–174. doi:10.1007/s10562-009-0217-3.
- Hattori A, Tada H. High photocatalytic activity of F-doped TiO2 film on glass. J Sol-Gel Sci Technol. 2001;22:47–52. doi:10.1023/A:1011260219229.
- Ansari SA, Khan MM, Ansari MO, et al. Nitrogen-doped titanium dioxide (N-doped TiO2) for visible light photocatalysis. New J Chem. 2016;40:3000–3009. doi:10.1039/C5NJ03478G.
- Asahi R, Morikawa T, Ohwaki T, et al. Visible-light photocatalysis in nitrogen-doped titanium oxides. Science (80-). 2001;293:269–271. Available from: http://science.sciencemag.org/content/293/5528/269.abstract.
- Asahi R, Morikawa T, Irie H, et al. Nitrogen-doped titanium dioxide as visible-light-sensitive photocatalyst: designs, developments, and prospects. Chem Rev. 2014;114:9824–9852. doi:10.1021/cr5000738.
- Di Valentin C, Pacchioni G, Selloni A, et al. Characterization of paramagnetic species in N-doped TiO2 powders by EPR spectroscopy and DFT calculations. J Phys Chem B. 2005;109:11414–11419. doi:10.1021/jp051756t.
- Livraghi S, Paganini MC, Giamello E, et al. Origin of photoactivity of nitrogen-doped titanium dioxide under visible light. J Am Chem Soc. 2006;128:15666–15671. doi:10.1021/ja064164c.
- Wu H-C, Lin S-W, Wu J-S. Effects of nitrogen concentration on N-doped anatase TiO2: density functional theory and Hubbard U analysis. J Alloys Compd. 2012;522:46–50. Available from: http://www.sciencedirect.com/science/article/pii/S0925838812001430.
- Zhao Z, Liu Q. Mechanism of higher photocatalytic activity of anatase TiO2 doped with nitrogen under visible-light irradiation from density functional theory calculation. J Phys D Appl Phys. 2007;41:25105. doi:10.1088/0022-3727/41/2/025105.
- Liu G, Yu J, Lu M, et al. Crystal facet engineering of semiconductor photocatalysts: motivations, advances and unique properties. Chem Commun. 2011;47:6763–6783.
- Alizadeh H, Mostaan MA, Malih N, et al. Size and shape dependent thermal properties of rutile TiO2 nanoparticles: a molecular dynamics simulation study. Mol Simul. 2020;46:341–349. doi:10.1080/08927022.2019.1690142.
- Lamiel-Garcia O, Cuko A, Calatayud M, et al. Predicting size-dependent emergence of crystallinity in nanomaterials: titania nanoclusters versus nanocrystals. Nanoscale. 2017;9:1049–1058. doi:10.1039/C6NR05788H.
- Barnard AS, Zapol P. Effects of particle morphology and surface hydrogenation on the phase stability of TiO2. Phys Rev B. 2004;70:235403. Available from: https://link.aps.org/doi/10.1103/PhysRevB.70.235403.
- Moura KF, Maul J, Albuquerque AR, et al. Tio2 synthesized by microwave assisted solvothermal method: experimental and theoretical evaluation. J Solid State Chem. 2014;210:171–177. Available from: http://www.sciencedirect.com/science/article/pii/S0022459613005690.
- Andres J, Gracia L, Fernandes Gouveia A, et al. Effects of surface stability on the morphological transformation of metals and metal oxides as investigated by first-principles calculations. Nanotechnology. 2015;26:405703.
- Lazzeri M, Vittadini A, Selloni A. Structure and energetics of stoichiometric TiO2 anatase surfaces. Phys Rev B. 2001;63:155409. Available from: https://link.aps.org/doi/10.1103/PhysRevB.63.155409.
- Abbasi A, Sardroodi JJ. Structural and electronic properties of nitrogen-doped TiO2 nanocrystals and their effects on the adsorption of CH2O and SO2 molecules investigated by DFT. J Iran Chem Soc. 2018;15:1431–1448. doi:10.1007/s13738-018-1343-x.
- Kim S, Ko KC, Lee JY, et al. Single oxygen vacancies of (TiO2)35 as a prototype reduced nanoparticle: implication for photocatalytic activity. Phys Chem Chem Phys. 2016;18:23755–23762. doi:10.1039/C6CP04515D.
- Giannozzi P, Baroni S, Bonini N, et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. J Phys Condens Matter. 2009;21:395502. doi:10.1088/0953-8984/21/39/395502.
- Perdew JP, Burke K, Ernzerhof M. Generalized gradient approximation made simple. Phys Rev Lett. 1996;77:3865–3868. Available from: https://link.aps.org/doi/10.1103/PhysRevLett.77.3865.
- Vanderbilt D. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Phys Rev B. 1990;41:7892–7895. Available from: https://link.aps.org/doi/10.1103/PhysRevB.41.7892.
- Wulff G. Xxv. zur frage der geschwindigkeit des wachsthums und der auflösung der krystallflächen. Zeitschrift für Krist Mater. 1901;34:449–530.
- Available from: http://materia.fisica.unimi.it/manini/scripts.html.
- Kokalj A. XCrySDen—a new program for displaying crystalline structures and electron densities. J Mol Graph Model. 1999;17:176–179. Available from: http://www.sciencedirect.com/science/article/pii/S1093326399000285.
- Di Valentin C, Pacchioni G, Selloni A. Theory of carbon doping of titanium dioxide. Chem Mater. 2005;17:6656–6665. doi:10.1021/cm051921h.
- Ortega Y, Hevia D, Oviedo J, et al. A DFT study of the stoichiometric and reduced anatase (0 0 1) surfaces. Appl Surf Sci. 2014;294:42–48.
- Omar MS. Models for mean bonding length, melting point and lattice thermal expansion of nanoparticle materials. Mater Res Bull. 2012;47:3518–3522. Available from: https://www.sciencedirect.com/science/article/pii/S0025540812005065.
- Borrás A, López C, Rico V, et al. Effect of visible and UV illumination on the water contact angle of TiO2 thin films with incorporated nitrogen. J Phys Chem C. 2007;111:1801–1808. doi:10.1021/jp065392w.
- Tachikawa T, Takai Y, Tojo S, et al. Visible light-induced degradation of ethylene glycol on nitrogen-doped TiO2 powders. J Phys Chem B. 2006;110:13158–13165. doi:10.1021/jp0620217.
- Sathish M, Viswanathan B, Viswanath RP, et al. Synthesis, characterization, electronic structure, and photocatalytic activity of nitrogen-doped TiO2 nanocatalyst. Chem Mater. 2005;17:6349–6353. doi:10.1021/cm052047v.
- Bromley ST, Moreira I, Neyman KM, et al. Approaching nanoscale oxides: models and theoretical methods. Chem Soc Rev. 2009;38:2657–2670.
- Yang HG, Liu G, Qiao SZ, et al. Solvothermal synthesis and photoreactivity of anatase TiO2 nanosheets with dominant {001} facets. J Am Chem Soc. 2009;131:4078–4083. doi:10.1021/ja808790p.
- Lee B-H, Park S, Kim M, et al. Reversible and cooperative photoactivation of single-atom Cu/TiO2 photocatalysts. Nat Mater. 2019;18:620–626. doi:10.1038/s41563-019-0344-1.
- Kakil SA, Abdullah hewa Y, Abdullah TG, et al. Subsurface depth dependence of nitrogen doping in TiO2 anatase: a DFT study. J Phys Condens Matter. 2021;33:205703. doi:10.1088/1361-648X/abce41.
- Lin H, Huang CP, Li W, et al. Size dependency of nanocrystalline TiO2 on its optical property and photocatalytic reactivity exemplified by 2-chlorophenol. Appl Catal B Environ. 2006;68:1–11. Available from: https://www.sciencedirect.com/science/article/pii/S0926337306003328.
- Ghamsari MS, Gaeeni MR, Han W, et al. Highly stable colloidal TiO2 nanocrystals with strong violet-blue emission. J Lumin. 2016;178:89–93. Available from: https://www.sciencedirect.com/science/article/pii/S0022231315302106.
- Kavan L, Stoto T, Graetzel M, et al. Quantum size effects in nanocrystalline semiconducting titania layers prepared by anodic oxidative hydrolysis of titanium trichloride. J Phys Chem. 1993;97:9493–9498. doi:10.1021/j100139a038.
- Li Y-F, Liu Z-P. Particle size, shape and activity for photocatalysis on titania anatase nanoparticles in aqueous surroundings. J Am Chem Soc. 2011;133:15743–15752. doi:10.1021/ja206153v.
- Cho D, Ko KC, Lamiel-García O, et al. Effect of size and structure on the ground-state and excited-state electronic structure of TiO2 nanoparticles. J Chem Theory Comput. 2016;12:3751–3763. doi:10.1021/acs.jctc.6b00519.
- Khan M, Cao W, Ullah M. Ab initio calculations for the electronic and optical properties of Y-doped anatase TiO2. Phys Status Solidi. 2013;250:364–369. doi:10.1002/pssb.201248174.
- Yu J, Low J, Xiao W, et al. Enhanced photocatalytic CO2-reduction activity of anatase TiO2 by coexposed {001} and {101} facets. J Am Chem Soc. 2014;136:8839–8842. doi:10.1021/ja5044787.
- Yang HG, Sun CH, Qiao SZ, et al. Anatase TiO2 single crystals with a large percentage of reactive facets. Nature. 2008;453:638–641. doi:10.1038/nature06964.
- Yang K, Dai Y, Huang B, et al. Density functional studies of the magnetic properties in nitrogen doped TiO2. Chem Phys Lett. 2009;481:99–102. Available from: https://www.sciencedirect.com/science/article/pii/S0009261409011567.