메뉴 건너뛰기




Volumn 422, Issue , 2017, Pages 990-996

The role of high oxygen vacancy concentration on modification of surface properties and H 2 S adsorption on the rutile TiO 2 (110)

Author keywords

Bridging oxygen vacancies; DFT + U calculation; H 2 S dissociative adsorption; Rutile TiO 2 (110)

Indexed keywords

ADSORPTION; DISSOCIATION; ELECTRONIC STRUCTURE; ENERGY GAP; OXIDE MINERALS; SURFACE PROPERTIES; TITANIUM DIOXIDE; VACANCIES;

EID: 85020888261     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2017.06.040     Document Type: Article
Times cited : (23)

References (52)
  • 2
    • 84876341166 scopus 로고    scopus 로고
    • 2 film under microwave electrodeless discharge lamp irradiation
    • 2 film under microwave electrodeless discharge lamp irradiation. Chem. Eng. J. 225 (2013), 9–15.
    • (2013) Chem. Eng. J. , vol.225 , pp. 9-15
    • Yu, Y.1    Zhang, T.2    Zheng, L.3    Yu, J.4
  • 5
    • 85034433147 scopus 로고    scopus 로고
    • Photochemical decomposition of hydrogen sulfide
    • L.E. Norena J.-A. Wang InTech Press Croatia
    • [5] Yu, S., Zhou, Y., Photochemical decomposition of hydrogen sulfide. Norena, L.E., Wang, J.-A., (eds.) Advanced Catalytic Materials-Photocatalysis and Other Current Trends, 2016, InTech Press, Croatia, 269–293.
    • (2016) Advanced Catalytic Materials-Photocatalysis and Other Current Trends , pp. 269-293
    • Yu, S.1    Zhou, Y.2
  • 6
    • 54349113979 scopus 로고    scopus 로고
    • 2 and S on CdS-based photocatalyst under visible light irradiation
    • 2 and S on CdS-based photocatalyst under visible light irradiation. J. Catal. 260 (2008), 134–140.
    • (2008) J. Catal. , vol.260 , pp. 134-140
    • Ma, G.1    Yan, H.2    Shi, J.3    Zong, X.4    Lei, Z.5    Li, C.6
  • 13
    • 84911396466 scopus 로고    scopus 로고
    • Influence of oxygen nonstoichiometry and doping with 2p-, 3p-, 6p-and 3d-elements on electronic structure, optical properties and photocatalytic activity of rutile and anatase: ab initio approaches
    • [13] Zainullina, V.M., Zhukov, V.P., Korotin, M.A., Influence of oxygen nonstoichiometry and doping with 2p-, 3p-, 6p-and 3d-elements on electronic structure, optical properties and photocatalytic activity of rutile and anatase: ab initio approaches. J. Photochem. Photobiol. C 22 (2015), 58–83.
    • (2015) J. Photochem. Photobiol. C , vol.22 , pp. 58-83
    • Zainullina, V.M.1    Zhukov, V.P.2    Korotin, M.A.3
  • 17
    • 0037118429 scopus 로고    scopus 로고
    • 3 photocatalysts codoped with antimony and chromium
    • 3 photocatalysts codoped with antimony and chromium. J. Phys. Chem. B 106 (2002), 5029–5034.
    • (2002) J. Phys. Chem. B , vol.106 , pp. 5029-5034
    • Kato, H.1    Kudo, A.2
  • 18
    • 0038606410 scopus 로고
    • 2 in the visible light region
    • 2 in the visible light region. Chem. Phys. Lett. 123 (1986), 126–128.
    • (1986) Chem. Phys. Lett. , vol.123 , pp. 126-128
    • Sato, S.1
  • 19
    • 84872346752 scopus 로고    scopus 로고
    • 2 with p-block elements: effects on photocatalytic activity
    • 2 with p-block elements: effects on photocatalytic activity. J. Photochem. Photobiol. C 14 (2013), 13–28.
    • (2013) J. Photochem. Photobiol. C , vol.14 , pp. 13-28
    • Dozzi, M.V.1    Selli, E.2
  • 22
    • 33750949392 scopus 로고
    • 2 : correlation between photoreactivity and charge carrier recombination dynamics
    • 2 : correlation between photoreactivity and charge carrier recombination dynamics. J. Phys. Chem. 98 (1994), 13669–13679.
    • (1994) J. Phys. Chem. , vol.98 , pp. 13669-13679
    • Choi, W.1    Termin, A.2    Hoffmann, M.R.3
  • 24
    • 79954451501 scopus 로고    scopus 로고
    • An economic method to prepare vacuum activated photocatalysts with high photo-activities and photosensitivities
    • [24] Xing, M., Zhang, J., Chen, F., Tian, B., An economic method to prepare vacuum activated photocatalysts with high photo-activities and photosensitivities. Chem. Commun. 47 (2011), 4947–4949.
    • (2011) Chem. Commun. , vol.47 , pp. 4947-4949
    • Xing, M.1    Zhang, J.2    Chen, F.3    Tian, B.4
  • 26
    • 84921302895 scopus 로고    scopus 로고
    • 3 nanosheets: in situ oxygen vacancy formation and enhanced visible light photocatalytic activity
    • 3 nanosheets: in situ oxygen vacancy formation and enhanced visible light photocatalytic activity. ACS Appl. Mater. Interfaces 7 (2015), 730–737.
    • (2015) ACS Appl. Mater. Interfaces , vol.7 , pp. 730-737
    • Zhao, Z.1    Zhou, Y.2    Wang, F.3    Zhang, K.4    Yu, S.5    Cao, K.6
  • 27
    • 84925342570 scopus 로고    scopus 로고
    • Ag-BiOCl nanocomposites prepared by the oxygen vacancy induced photodeposition method with improved visible light photocatalytic activity
    • [27] Zhang, Z., Zhou, Y., Yu, S., Chen, M., Wang, F., Ag-BiOCl nanocomposites prepared by the oxygen vacancy induced photodeposition method with improved visible light photocatalytic activity. Mater. Lett. 150 (2015), 97–100.
    • (2015) Mater. Lett. , vol.150 , pp. 97-100
    • Zhang, Z.1    Zhou, Y.2    Yu, S.3    Chen, M.4    Wang, F.5
  • 28
    • 84983486744 scopus 로고    scopus 로고
    • R. van Santen, M.C.M. van de Sanden, A. Bieberle-Hütter, Oxygen evolution at hematite surfaces: the impact of structure and oxygen vacancies on lowering the overpotential
    • [28] Zhang, X., Klaver, P., R. van Santen, M.C.M. van de Sanden, A. Bieberle-Hütter, Oxygen evolution at hematite surfaces: the impact of structure and oxygen vacancies on lowering the overpotential. J. Phys. Chem. C 120 (2016), 18201–18208.
    • (2016) J. Phys. Chem. C , vol.120 , pp. 18201-18208
    • Zhang, X.1    Klaver, P.2
  • 31
    • 36149014791 scopus 로고
    • 2 single crystals
    • 2 single crystals. Phys. Rev. 113 (1959), 1222–1226.
    • (1959) Phys. Rev. , vol.113 , pp. 1222-1226
    • Cronemeyer, D.C.1
  • 34
    • 0026941933 scopus 로고
    • The dissociative adsorption of hydrogen sulfide over nanophase titanium dioxide
    • [34] Beck, D.D., Siegel, R.W., The dissociative adsorption of hydrogen sulfide over nanophase titanium dioxide. J. Mater. Res. 7 (1992), 2840–2845.
    • (1992) J. Mater. Res. , vol.7 , pp. 2840-2845
    • Beck, D.D.1    Siegel, R.W.2
  • 37
    • 33744691386 scopus 로고
    • Ground state of the electron gas by a stochastic method
    • [37] Ceperley, D.M., Alder, B.J., Ground state of the electron gas by a stochastic method. Phys. Rev. Lett. 45 (1980), 566–569.
    • (1980) Phys. Rev. Lett. , vol.45 , pp. 566-569
    • Ceperley, D.M.1    Alder, B.J.2
  • 38
    • 26144450583 scopus 로고
    • Self-interaction correction to density-functional approximations for many-electron systems
    • [38] Perdew, J.P., Zunger, A., Self-interaction correction to density-functional approximations for many-electron systems. Phys. Rev. B 23 (1981), 5048–5079.
    • (1981) Phys. Rev. B , vol.23 , pp. 5048-5079
    • Perdew, J.P.1    Zunger, A.2
  • 40
    • 0036941202 scopus 로고    scopus 로고
    • Crystallography and crystallite morphology of rutile synthesized at low temperature
    • [40] Bokhimi, X., Morales, A., Pedraza, F., Crystallography and crystallite morphology of rutile synthesized at low temperature. J. Solid State Chem. 169 (2002), 176–181.
    • (2002) J. Solid State Chem. , vol.169 , pp. 176-181
    • Bokhimi, X.1    Morales, A.2    Pedraza, F.3
  • 42
    • 84872725612 scopus 로고    scopus 로고
    • 2 -(110) surface under UV illumination and its role on CO oxidation
    • 2 -(110) surface under UV illumination and its role on CO oxidation. J. Phys. Chem. C 117 (2013), 956–961.
    • (2013) J. Phys. Chem. C , vol.117 , pp. 956-961
    • Ji, Y.1    Wang, B.2    Luo, Y.3
  • 49
    • 84865268485 scopus 로고    scopus 로고
    • Oxygen vacancy induced band-gap narrowing and enhanced visible light photocatalytic activity of ZnO
    • [49] Wang, J., Wang, Z., Huang, B., Ma, Y., Liu, Y., Qin, X., Zhang, X., Dai, Y., Oxygen vacancy induced band-gap narrowing and enhanced visible light photocatalytic activity of ZnO. ACS Appl. Mater. Interfaces 4 (2012), 4024–4030.
    • (2012) ACS Appl. Mater. Interfaces , vol.4 , pp. 4024-4030
    • Wang, J.1    Wang, Z.2    Huang, B.3    Ma, Y.4    Liu, Y.5    Qin, X.6    Zhang, X.7    Dai, Y.8
  • 51
    • 33745753520 scopus 로고    scopus 로고
    • A fast and robust algorithm for Bader decomposition of charge density
    • [51] Henkelman, G., Arnaldsson, A., Jónsson, H., A fast and robust algorithm for Bader decomposition of charge density. Comput. Mater. Sci. 36 (2006), 254–360.
    • (2006) Comput. Mater. Sci. , vol.36 , pp. 254-360
    • Henkelman, G.1    Arnaldsson, A.2    Jónsson, H.3
  • 52
    • 79951777316 scopus 로고    scopus 로고
    • Accurate and efficient algorithm for Bader charge integration
    • [52] Yu, M., Trinkle, D.R., Accurate and efficient algorithm for Bader charge integration. J. Chem. Phys., 134, 2011, 064111.
    • (2011) J. Chem. Phys. , vol.134 , pp. 064111
    • Yu, M.1    Trinkle, D.R.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.