Electronic Properties of 3d-Metal-Doped Zirconia Nanotubes

被引：0

作者：

E. P. D’yachkov

I. A. Bochkov

D. V. Makaev

P. N. D’yachkov

机构：

[1] Russian Academy of Sciences,Kurnakov Institute of General and Inorganic Chemistry

[2] Ryazan State Radiotechnical University,undefined

来源：

Russian Journal of Inorganic Chemistry | 2018年 / 63卷

关键词：

nanotubes; zirconia; electronic properties; doping; 3; metals; photocatalysis of water; linearized augmented cylindrical waves;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

The electronic structure of hexagonal ZrO2 nanotubes doped by 3d-metal atoms was calculated by the linearized augmented cylindrical wave (LACW) method. The calculated densities of electronic states indicate that partial substitutions of zirconium atoms by transition metals (Sc, Ti, Mn, Co, and Zn) decrease the optical gap of (4,4) ZrO2 nanotubes from 3.7 to 2–2.3 eV. Doping of nanotubes shifts optical absorption from the UV to the visible, and the nanotubes themselves become candidate materials for design of electrodes for electrochemical water photolysis.

引用

页码：1340 / 1344

页数：4

共 50 条

[41] Chemical Stability and Electronic Properties of Silicon Doped Carbon Nanotubes: A First Pricniples Study
Hakimi, Maryam
Nadimi, Ebrahim
[J]. 2024 32ND INTERNATIONAL CONFERENCE ON ELECTRICAL ENGINEERING, ICEE 2024, 2024, : 271 - 275
[42] Tuning the magnetic and electronic properties of MoI3 monolayer by 3d transition metal doping: A first-principles study
Ouettar, Chaouki
Yahi, Hakima
Chibani, Hosayn
[J]. JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2022, 551
[43] Structural and magnetic properties of Fe3O4 doped zirconia
Bashir, Mahwish
Riaz, Saira
Farooq, Muhammad
Butt, Anum
Naseem, Shahzad
[J]. MATERIALS TODAY-PROCEEDINGS, 2015, 2 (10) : 5611 - 5618
[44] Optical properties of 3d transition metal ion-doped aluminophosphate glasses
Wen, Hongli
Xie, Shengjie
Cui, Jiangtao
Mao, Sile
Luo, Li
Brik, Mikhail G.
[J]. JOURNAL OF LUMINESCENCE, 2019, 213 : 263 - 272
[45] Electronic transport properties of graphene doped by gallium
Mach, J.
Prochazka, P.
Bartosik, M.
Nezval, D.
Piastek, J.
Hulva, J.
Svarc, V.
Konecny, M.
Kormos, L.
Sikola, T.
[J]. NANOTECHNOLOGY, 2017, 28 (41)
[46] Electronic transport properties in metal doped beta-Ga2O3: A first principles study
Zhang, Chaoqun
Liao, Fei
Liang, Xiao
Gong, Hengxiang
Liu, Qiang
Li, Ling
Qin, Xiaofang
Huang, Xuan
Huang, Chunjuan
[J]. PHYSICA B-CONDENSED MATTER, 2019, 562 : 124 - 130
[47] The electronic structures, elastic and thermodynamic properties of alkali earth metal doped Ni3Ti intermetallics
Qiao, Jinyu
Wu, Fangfang
Yang, Zekun
Chen, Huanming
Zhao, Hongsheng
Bai, Hongcun
Ma, Zhi
Yan, Ruyang
Wang, Yuqi
[J]. INTERMETALLICS, 2024, 164
[48] A simple method to fabricate metal doped TiO2 nanotubes
John, Aijo K.
Naduvath, Johns
Remillard, Stephen K.
Shaji, Sadasivan
DeYoung, Paul A.
Kellner, Zachary T.
Mallick, Sudhanshu
Thankamoniamma, Manju
Okram, Gunadhor S.
Philip, Rachel Reena
[J]. CHEMICAL PHYSICS, 2019, 523 : 198 - 204
[49] The Electronic Properties of Al-, P-Doped and Al, P co-Doped Boron Nitride Nanotubes
Sun, Miao
Wu, Gonglian
Ye, Ting
Zhang, Hui
Yang, Zhaodi
Li, Zesheng
[J]. NEW MATERIALS, APPLICATIONS AND PROCESSES, PTS 1-3, 2012, 399-401 : 2215 - +
[50] STRUCTURE AND PROPERTIES OF 3D PRINTED ZIRCONIA APPLIED IN DENTISTRY
Vasylyev, M. O.
Gurin, P. O.
[J]. USPEKHI FIZIKI METALLOV-PROGRESS IN PHYSICS OF METALS, 2023, 24 (01): : 106 - 131

← 1 2 3 4 5 →