Polycrystalline RbTiOPO4 and KTiOPO4 bilayer thin films by spray pyrolysis

Golego, Nickolay; Cocivera, Michael

doi:10.1016/s0040-6090(97)01014-6

Cited by 23 publications

(14 citation statements)

References 24 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The energy/band gaps (E g ) of the ATP compounds were calculated using PBE, RPBE, PW91, WC, and PBEsol with the ultrasoft and norm conserving pseudopotentials. KTP is the only material with a known bandgap (E g ); it has a direct bandgap at 3.2 eV and indirect one at 3.8 eV [2,20,[45][46][47][48]. The best value in our results that closer to the experimental data was 3.22 eV using PBEsol with ultrasoft pseudopotential, and 3.35 eV using the same functional but when treated with norm conserving one.…”

Section: Electronic Propertiessupporting

confidence: 69%

Electronic structures and optoelectronic properties of ATiOPO₄ (A = H, Li, Na, K, Rb, Cs, Fr, NH₄, Ag) compounds and their applications in water splitting, CO₂ reduction, and photo-degradation

Abdel-Sattar

Taha

2020

Mater. Res. Express

View full text Add to dashboard Cite

In this paper, we have presented a computational study on the crystal structures, electronic, and optical properties of the titanyl phosphate family (ATiOPO 4 , where A=H, Li, Na, K, Rb, Fr, NH 4 and Ag). The lattice parameters and bandgaps were calculated with the Perdew-Burke-Ernzerhof (PBE), Revised Perdew-Burke-Ernzerhof (RPBE), Perdew Wang (PW91), Wu-Cohen (WC), and Perdew-Burke-Ernzerhof for solids (PBEsol) non-local functionals of the generalized gradient approximations (GAA). The PBEsol functional provided better results and closer to the experimental data of the ATiOPO 4 compounds; and thus, this method was used to analyze the band structures, density of states, and optical properties. A comparison between the optical properties (dielectric function, refractive index, absorption coefficient, reflectivity, electron energy loss spectrum, and photoconductivity) of ATiOPO 4 compounds were discussed. The potentials of valance band and conduction band edges were calculated and used to investigate the protentional applications of the ATiOPO 4 materials in water splitting, CO 2 reduction, and photo-degradation processes. The results obtained in our investigations show that many of the investigated ATiOPO 4 semiconductors could be used as effective photocatalysts in these photocatalytic reactions.OPEN ACCESS RECEIVED

show abstract

Section: Electronic Propertiessupporting

confidence: 69%

Electronic structures and optoelectronic properties of ATiOPO₄ (A = H, Li, Na, K, Rb, Cs, Fr, NH₄, Ag) compounds and their applications in water splitting, CO₂ reduction, and photo-degradation

Abdel-Sattar

Taha

2020

Mater. Res. Express

View full text Add to dashboard Cite

show abstract

“…Thin-film TiO 2 , both undoped and containing various elements, was prepared by a variety of methods to give both single-crystalline and polycrystalline films. Using our experience with spraypyrolytic deposition of KTiOPO 4 , 10 RbTiOPO 4 , 12 and BaTiO 3 , 13 we have prepared and characterized titanium a) Permanent address: Institute of Semiconductor Physics, Siberian 10 As well, a niobium peroxo-hydroxo complex (NPH) was synthesized and used as a Nb precursor, for the first time to our knowledge.…”

Section: Introductionmentioning

confidence: 99%

Spray pyrolysis preparation of porous polycrystalline thin films of titanium dioxide containing Li and Nb

1999

Self Cite

View full text Add to dashboard Cite

Titanium dioxide thin films prepared with and without lithium and niobium were as follows: uniform, crack-free, and stoichiometric, amorphous as-deposited at 300 ± C and below; polycrystalline anatase when deposited at 400 ± C or annealed at 500-800 ± C; and rutile when annealed at 900 ± C. Films prepared around 200 ± C were very porous, but the porosity decreased as the substrate temperature increased. Optical absorption spectra revealed an indirect bandgap of 3.0 eV for amorphous and anatase films, and a direct bandgap of the same value in rutile. Dark dc conductivity of undoped films was lower than 10 210 (V ? cm) 21 ; Hall effect measurements indicated that effective electron mobility was below 1 cm 2 ͞(V ? s). The presence of Nb and Li increased the conductivity by 2-3 orders of magnitude, similar to the effect of hydrogen annealing. Illumination increased the conductivity by several orders of magnitude, and the decay followed a multiexponential law extending into the 10 6 second range after irradiation was stopped. The electronic properties of the films were determined by oxygen-related surface states at grain boundaries. Samples containing Li exhibited considerable sensitivity to water vapor.

show abstract

“…The spray system was described in detail elsewhere. 8,9 The Corning 7059 glass sub-strates were used in our deposition. Annealing and softening point of thin sheet glass are 639 and 844°C, respectively.…”

mentioning

confidence: 99%

Blue cathodoluminescence from Ba2B5O9Cl:Eu phosphor thin films on glass substrates

Hao

Cocivera

2002

Applied Physics Letters

Self Cite

View full text Add to dashboard Cite

show abstract

Polycrystalline RbTiOPO4 and KTiOPO4 bilayer thin films by spray pyrolysis

Cited by 23 publications

References 24 publications

Electronic structures and optoelectronic properties of ATiOPO₄ (A = H, Li, Na, K, Rb, Cs, Fr, NH₄, Ag) compounds and their applications in water splitting, CO₂ reduction, and photo-degradation

Electronic structures and optoelectronic properties of ATiOPO₄ (A = H, Li, Na, K, Rb, Cs, Fr, NH₄, Ag) compounds and their applications in water splitting, CO₂ reduction, and photo-degradation

Spray pyrolysis preparation of porous polycrystalline thin films of titanium dioxide containing Li and Nb

Blue cathodoluminescence from Ba2B5O9Cl:Eu phosphor thin films on glass substrates

Contact Info

Product

Resources

About

Polycrystalline RbTiOPO4 and KTiOPO4 bilayer thin films by spray pyrolysis

Cited by 23 publications

References 24 publications

Electronic structures and optoelectronic properties of ATiOPO4 (A = H, Li, Na, K, Rb, Cs, Fr, NH4, Ag) compounds and their applications in water splitting, CO2 reduction, and photo-degradation

Electronic structures and optoelectronic properties of ATiOPO4 (A = H, Li, Na, K, Rb, Cs, Fr, NH4, Ag) compounds and their applications in water splitting, CO2 reduction, and photo-degradation

Spray pyrolysis preparation of porous polycrystalline thin films of titanium dioxide containing Li and Nb

Blue cathodoluminescence from Ba2B5O9Cl:Eu phosphor thin films on glass substrates

Contact Info

Product

Resources

About

Electronic structures and optoelectronic properties of ATiOPO₄ (A = H, Li, Na, K, Rb, Cs, Fr, NH₄, Ag) compounds and their applications in water splitting, CO₂ reduction, and photo-degradation

Electronic structures and optoelectronic properties of ATiOPO₄ (A = H, Li, Na, K, Rb, Cs, Fr, NH₄, Ag) compounds and their applications in water splitting, CO₂ reduction, and photo-degradation