Electronic structure and optical properties of Ag3PO4 photocatalyst calculated by hybrid density functional method

被引：245

作者：

Liu, J. J. ^{[1
]}

Fu, X. L. ^{[2
]}

Chen, S. F. ^{[2
]}

Zhu, Y. F. ^{[3
]}

机构：

[1] Huaibei Normal Univ, Dept Phys & Elect Informat, Huaibei 235000, Anhui, Peoples R China

[2] Huaibei Normal Univ, Dept Chem & Mat Sci, Huaibei 235000, Anhui, Peoples R China

[3] Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China

来源：

APPLIED PHYSICS LETTERS | 2011年 / 99卷 / 19期

关键词：

VISIBLE-LIGHT IRRADIATION; WATER DECOMPOSITION; D(10) CONFIGURATION; SEMICONDUCTOR; HYDROGEN; OXIDES;

D O I：

10.1063/1.3660319

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The electronic structure and optical properties of Ag3PO4 were studied by hybrid density functional theory. The results indicated that the band gap is 2.43 eV, which agrees well with the experimental value of 2.45 eV. The conduction bands of Ag3PO4 are mainly attributable to Ag 5s and 5p states, while the valence bands are dominated by O 2p and Ag 4d states. The highest valence band edge potential was 2.67V (vs. normal hydrogen electrode), which has enough driving force for photocatalytic water oxidation and pollutants degradation. The optical absorption spectrum showed that Ag3PO4 is a visible light response photocatalyst. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3660319]

引用

页数：3

共 19 条

[1] Selective-Synthesis of High-Performance Single-Crystalline Sr2Nb2O7 Nanoribbon and SrNb2O6 Nanorod Photocatalysts [J].

Chen, Di ;

Ye, Jinhua .

CHEMISTRY OF MATERIALS, 2009, 21 (11) :2327-2333

[2] Semiconductor-based Photocatalytic Hydrogen Generation [J].

Chen, Xiaobo ;

Shen, Shaohua ;

Guo, Liejin ;

Mao, Samuel S. .

CHEMICAL REVIEWS, 2010, 110 (11) :6503-6570

[3] Preparation and visible-light activity of silver vanadate for the degradation of pollutants [J].

Hu, Xuexiang ;

Hu, Chun ;

Qu, Jiuhui .

MATERIALS RESEARCH BULLETIN, 2008, 43 (11) :2986-2997

[4] Photocatalytic activity of hydrothermally synthesized tantalate pyrochlores for overall water splitting [J].

Ikeda, S ;

Fubuki, M ;

Takahara, YK ;

Matsumura, M .

APPLIED CATALYSIS A-GENERAL, 2006, 300 (02) :186-190

[5] Photocatalytic activities of AgSbO3 under visible light irradiation [J].

Kako, Tetsuya ;

Kikugawa, Naoki ;

Ye, Jinhua .

CATALYSIS TODAY, 2008, 131 (1-4) :197-202

[6] Origin of Photocatalytic Activation of Silver Orthophosphate from First-Principles [J].

Ma, Xinguo ;

Lu, Bin ;

Li, Di ;

Shi, Rui ;

Pan, Chenshi ;

Zhu, Yongfa .

JOURNAL OF PHYSICAL CHEMISTRY C, 2011, 115 (11) :4680-4687

[7] Photocatalyst releasing hydrogen from water - Enhancing catalytic performance holds promise for hydrogen production by water splitting in sunlight. [J].

Maeda, K ;

Teramura, K ;

Lu, DL ;

Takata, T ;

Saito, N ;

Inoue, Y ;

Domen, K .

NATURE, 2006, 440 (7082) :295-295

[8] Visible light sensitive photocatalyst, delafossite structured α-AgGaO2 [J].

Maruyama, Yoshihiko ;

Irie, Hiroshi ;

Hashimoto, Kazuhito .

JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (46) :23274-23278

[9] REFINEMENT OF CRYSTAL-STRUCTURE OF SILVER MONOPHOSPHATE, AG3PO4 - EXISTENCE OF HIGH-TEMPERATURE FORM [J].

MASSE, R ;

TORDJMAN, I ;

DURIF, A .

ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 1976, 144 (1-2) :76-81

[10] An overview of photocells and photoreactors for photoelectrochemical water splitting [J].

Minggu, Lorna Jeffery ;

Daud, Wan Ramli Wan ;

Kassim, Mohammad B. .

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2010, 35 (11) :5233-5244

← 1 2 →