Unraveling the Surface Reactivity of Pristine and Ti-Doped Hematite with Water

被引：5

作者：

Deleuze, Pierre-Marie ^{[1
]}

Magnan, Helene ^{[2
]}

Barbier, Antoine ^{[2
]}

Silly, Mathieu ^{[3
]}

Domenichini, Bruno ^{[1
]}

Dupont, Celine ^{[1
]}

机构：

[1] Univ Bourgogne Franche Comte, Lab Interdisciplinaire Carnot Bourgogne ICB, UMR 6303 CNRS, F-21078 Dijon, France

[2] Univ Paris Saclay, CEA, CNRS, Serv Phys Etat Condense SPEC, F-91191 Gif Sur Yvette, France

[3] Synchrotron SOLEIL, F-91192 St Aubin, France

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2021年 / 12卷 / 47期

关键词：

TOTAL-ENERGY CALCULATIONS; OXIDATION; ALPHA-FE2O3(0001); PHOTOOXIDATION; PHOTOANODES; ADSORPTION; STABILITY; LAYER; FILMS; OXIDE;

D O I：

10.1021/acs.jpclett.1c03029

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Water adsorption and dissociation on undoped and Ti-doped hematite thin films were investigated using near-ambient pressure photoemission and DFT calculations. A fine understanding of doping effects is of prime importance in the framework of photoanode efficiency in aqueous conditions. By comparison to pure Fe2O3 surface, the Ti(2%)-Fe2O3 surface shows a lower hydroxylation level. We demonstrate that titanium induces wide structural modifications of the surface, preventing it from reaching full hydroxylation.

引用

页码：11520 / 11527

页数：8

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