Ni cluster nucleation and growth on the anatase TiO2(101) surface: a density functional theory study

Yanxin Wang; Yan Su; Mingyuan Zhu; Lihua Kang

doi:10.1039/c4ra13975e

Ni cluster nucleation and growth on the anatase TiO2(101) surface: a density functional theory study

RSC Advances ◽

10.1039/c4ra13975e ◽

2015 ◽

Vol 5 (21) ◽

pp. 16582-16591 ◽

Cited By ~ 10

Author(s):

Yanxin Wang ◽

Yan Su ◽

Mingyuan Zhu ◽

Lihua Kang

Keyword(s):

Density Functional Theory ◽

Driving Force ◽

Cluster Size ◽

Density Functional ◽

Growth Process ◽

Nucleation And Growth ◽

Anatase Tio2 ◽

Density Functional Theory Study ◽

Functional Theory ◽

Initial Stage

The Ni–TiO2 interaction is the main driving force at the initial stage of Ni nucleation. The Ni–Ni interaction begins to control the growth process as the cluster size gets larger.

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Density functional theory study of adsorption geometries and electronic structures of azo-dye-based molecules on anatase TiO2 surface for dye-sensitized solar cell applications

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2017.06.002 ◽

2017 ◽

Vol 76 ◽

pp. 551-561 ◽

Cited By ~ 17

Author(s):

Pongthep Prajongtat ◽

Songwut Suramitr ◽

Somkiat Nokbin ◽

Koichi Nakajima ◽

Koichiro Mitsuke ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structures ◽

Azo Dye ◽

Density Functional ◽

Anatase Tio2 ◽

Dye Sensitized Solar Cell ◽

Tio2 Surface ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dye Sensitized

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Density Functional Theory Study on the Nucleation and Growth of Ptn Clusters on γ-Al2O3(001) Surface

ACS Omega ◽

10.1021/acsomega.7b00342 ◽

2017 ◽

Vol 2 (7) ◽

pp. 3250-3259 ◽

Cited By ~ 4

Author(s):

Yue Wang ◽

Bo Xiang ◽

Hua-Qing Yang ◽

Chang-Wei Hu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Nucleation And Growth ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study of Formic Acid Adsorption on Anatase TiO2(001): Geometries, Energetics, and Effects of Coverage, Hydration, and Reconstruction

The Journal of Physical Chemistry B ◽

10.1021/jp056572t ◽

2006 ◽

Vol 110 (6) ◽

pp. 2804-2811 ◽

Cited By ~ 181

Author(s):

Xue-Qing Gong ◽

Annabella Selloni ◽

Andrea Vittadini

Keyword(s):

Density Functional Theory ◽

Formic Acid ◽

Density Functional ◽

Anatase Tio2 ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study on the metal–support interaction between a Au9 cluster and an anatase TiO2(001) surface

Physical Chemistry Chemical Physics ◽

10.1039/c7cp03796a ◽

2017 ◽

Vol 19 (33) ◽

pp. 22069-22077 ◽

Cited By ~ 12

Author(s):

Zong-You Jiang ◽

Zong-Yan Zhao

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Density Functional ◽

Anatase Tio2 ◽

Density Functional Theory Study ◽

Functional Theory ◽

Adsorption Sites ◽

Support Interaction ◽

Metal Support Interaction ◽

Metal Support

The microstructure and electronic structure of three different Au9 isomers loaded on anatase TiO2(001) surface were studied. The adsorption energy of Au9 2D configuration is larger than that of 3D configuration, owing to the stronger interactions with more adsorption sites.

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Towards Multiscale Simulations of Carbon Nanotube Growth Process: A Density Functional Theory Study of Transition Metal Hydrides

Lecture Notes in Computer Science - Computational Science – ICCS 2009 ◽

10.1007/978-3-642-01970-8_76 ◽

2009 ◽

pp. 765-774

Author(s):

Satyender Goel ◽

Artëm E. Masunov

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Growth Process ◽

Metal Hydrides ◽

Density Functional Theory Study ◽

Functional Theory ◽

Transition Metal Hydrides ◽

Carbon Nanotube Growth ◽

Nanotube Growth

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Water-Hydrogen-Polaron Coupling at Anatase TiO2(101) Surfaces: A Hybrid Density Functional Theory Study

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.0c00917 ◽

2020 ◽

Vol 11 (11) ◽

pp. 4317-4325 ◽

Cited By ~ 3

Author(s):

Ya-Nan Zhu ◽

Gilberto Teobaldi ◽

Li-Min Liu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Anatase Tio2 ◽

Hybrid Density Functional Theory ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hybrid Density Functional ◽

Water Hydrogen

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Density Functional Theory Study of Solute Cluster Growth Process in Mg-Y-Zn Lpso Alloy

SSRN Electronic Journal ◽

10.2139/ssrn.3683521 ◽

2020 ◽

Author(s):

Mitsuhiro Itakura ◽

Masatake Yamaguchi ◽

Eiji Abe ◽

Daisuke Egusa

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Growth Process ◽

Cluster Growth ◽

Density Functional Theory Study ◽

Functional Theory ◽

Solute Cluster

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Density functional theory study of adsorption and dissociation of HfCl4 and H2O on Ge∕Si(100)-(2×1): Initial stage of atomic layer deposition of HfO2 on SiGe surface

Applied Physics Letters ◽

10.1063/1.1899253 ◽

2005 ◽

Vol 86 (14) ◽

pp. 142901 ◽

Cited By ~ 4

Author(s):

Wei Chen ◽

Hong-Liang Lu ◽

David Wei Zhang ◽

Min Xu ◽

Jie Ren ◽

...

Keyword(s):

Density Functional Theory ◽

Atomic Layer Deposition ◽

Density Functional ◽

Atomic Layer ◽

Density Functional Theory Study ◽

Functional Theory ◽

Layer Deposition ◽

Initial Stage ◽

Adsorption And Dissociation

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Adsorption of 2-propanol on anatase TiO2 (101) and (001) surfaces: A density functional theory study

Surface Science ◽

10.1016/j.susc.2013.05.005 ◽

2013 ◽

Vol 616 ◽

pp. 76-84 ◽

Cited By ~ 14

Author(s):

Feng Hui Tian ◽

Xiaobin Wang ◽

Wenwen Zhao ◽

Linghuan Zhao ◽

Tianshu Chu ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Anatase Tio2 ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of initial stage of HfO2 atomic layer deposition on hydroxylated SiO2 surface

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2006.09.025 ◽

2007 ◽

Vol 803 (1-3) ◽

pp. 23-28 ◽

Cited By ~ 7

Author(s):

Jie Ren ◽

Ya-Tong Zhang ◽

David Wei Zhang

Keyword(s):

Density Functional Theory ◽

Atomic Layer Deposition ◽

Density Functional ◽

Atomic Layer ◽

Density Functional Theory Study ◽

Functional Theory ◽

Sio2 Surface ◽

Layer Deposition ◽

Initial Stage

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