Proton Insertion in Polycrystalline WO3 Studied with Electron Spectroscopy and Semi-empirical Calculations

A. Henningsson; A. Stashans; A. Sandell; H. Rensmo; S. Södergren; H. Lindström; L. Vayssieres; A. Hagfeldt; S. Lunell; H. Siegbahn

doi:10.1016/S0065-3276(04)47002-6

Proton Insertion in Polycrystalline WO₃ Studied with Electron Spectroscopy and Semi-empirical Calculations

A. Henningsson
, A. Stashans
, A. Sandell
, H. Rensmo
, S. Södergren
, H. Lindström
, L. Vayssieres
, A. Hagfeldt
, S. Lunell
, H. Siegbahn

Uppsala University
Gammadata Scienta AB

科研成果: 书/报告/会议事项章节 › 章节 › 同行评审

14 引用（Scopus）

摘要

Proton insertion in polycrystalline tungsten oxide has been studied with photoelectron spectroscopy and semi-empirical calculations. The W 4f spectra show growth of W⁵⁺ and W⁴⁺ oxidation states as a function of inserted proton content in the crystal lattice. A concomitant growth of bandgap structure displays two separate peaks. Semi-empirical calculations using the periodic large unit cell (LUC) method suggest the growth of W⁴⁺ states based on the total energy variation with respect to the number of protons/unit cell. At this stage the general picture of insertion is that of a multiphase system containing regions of different x values.

源语言	英语
主期刊名	A Tribute Volume in Honor of Professor Osvaldo Goscinski
出版商	Academic Press Inc.
页	23-36
页数	14
ISBN（印刷版）	0120348470, 9780120348473
DOI	https://doi.org/10.1016/S0065-3276(04)47002-6
出版状态	已出版 - 2004
已对外发布	是

出版系列

姓名	Advances in Quantum Chemistry
卷	47
ISSN（印刷版）	0065-3276

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10.1016/S0065-3276(04)47002-6

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Henningsson, A., Stashans, A., Sandell, A., Rensmo, H., Södergren, S., Lindström, H., Vayssieres, L., Hagfeldt, A., Lunell, S., & Siegbahn, H. (2004). Proton Insertion in Polycrystalline WO₃ Studied with Electron Spectroscopy and Semi-empirical Calculations. 在 A Tribute Volume in Honor of Professor Osvaldo Goscinski (页码 23-36). (Advances in Quantum Chemistry; 卷 47). Academic Press Inc.. https://doi.org/10.1016/S0065-3276(04)47002-6

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title = "Proton Insertion in Polycrystalline WO3 Studied with Electron Spectroscopy and Semi-empirical Calculations",

abstract = "Proton insertion in polycrystalline tungsten oxide has been studied with photoelectron spectroscopy and semi-empirical calculations. The W 4f spectra show growth of W5+ and W4+ oxidation states as a function of inserted proton content in the crystal lattice. A concomitant growth of bandgap structure displays two separate peaks. Semi-empirical calculations using the periodic large unit cell (LUC) method suggest the growth of W4+ states based on the total energy variation with respect to the number of protons/unit cell. At this stage the general picture of insertion is that of a multiphase system containing regions of different x values.",

author = "A. Henningsson and A. Stashans and A. Sandell and H. Rensmo and S. S{\"o}dergren and H. Lindstr{\"o}m and L. Vayssieres and A. Hagfeldt and S. Lunell and H. Siegbahn",

year = "2004",

doi = "10.1016/S0065-3276(04)47002-6",

language = "英语",

isbn = "0120348470",

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pages = "23--36",

booktitle = "A Tribute Volume in Honor of Professor Osvaldo Goscinski",

}

Henningsson, A, Stashans, A, Sandell, A, Rensmo, H, Södergren, S, Lindström, H, Vayssieres, L, Hagfeldt, A, Lunell, S & Siegbahn, H 2004, Proton Insertion in Polycrystalline WO₃ Studied with Electron Spectroscopy and Semi-empirical Calculations. 在 A Tribute Volume in Honor of Professor Osvaldo Goscinski. Advances in Quantum Chemistry, 卷 47, Academic Press Inc., 页码 23-36. https://doi.org/10.1016/S0065-3276(04)47002-6

TY - CHAP

T1 - Proton Insertion in Polycrystalline WO3 Studied with Electron Spectroscopy and Semi-empirical Calculations

AU - Henningsson, A.

AU - Stashans, A.

AU - Sandell, A.

AU - Rensmo, H.

AU - Södergren, S.

AU - Lindström, H.

AU - Vayssieres, L.

AU - Hagfeldt, A.

AU - Lunell, S.

AU - Siegbahn, H.

PY - 2004

Y1 - 2004

N2 - Proton insertion in polycrystalline tungsten oxide has been studied with photoelectron spectroscopy and semi-empirical calculations. The W 4f spectra show growth of W5+ and W4+ oxidation states as a function of inserted proton content in the crystal lattice. A concomitant growth of bandgap structure displays two separate peaks. Semi-empirical calculations using the periodic large unit cell (LUC) method suggest the growth of W4+ states based on the total energy variation with respect to the number of protons/unit cell. At this stage the general picture of insertion is that of a multiphase system containing regions of different x values.

AB - Proton insertion in polycrystalline tungsten oxide has been studied with photoelectron spectroscopy and semi-empirical calculations. The W 4f spectra show growth of W5+ and W4+ oxidation states as a function of inserted proton content in the crystal lattice. A concomitant growth of bandgap structure displays two separate peaks. Semi-empirical calculations using the periodic large unit cell (LUC) method suggest the growth of W4+ states based on the total energy variation with respect to the number of protons/unit cell. At this stage the general picture of insertion is that of a multiphase system containing regions of different x values.

UR - https://www.scopus.com/pages/publications/33748299192

U2 - 10.1016/S0065-3276(04)47002-6

DO - 10.1016/S0065-3276(04)47002-6

M3 - 章节

AN - SCOPUS:33748299192

SN - 0120348470

SN - 9780120348473

T3 - Advances in Quantum Chemistry

SP - 23

EP - 36

BT - A Tribute Volume in Honor of Professor Osvaldo Goscinski

PB - Academic Press Inc.

ER -

Proton Insertion in Polycrystalline WO3 Studied with Electron Spectroscopy and Semi-empirical Calculations

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Proton Insertion in Polycrystalline WO₃ Studied with Electron Spectroscopy and Semi-empirical Calculations