The adsorption and growth of Agn (n = 1–4) clusters on cubic, monoclinic, and tetragonal ZrO2 surfaces: a first-principles study

Tingting Liu; Yan Li; Changhai Liang

doi:10.1039/c9nj03769a

The adsorption and growth of Agn (n = 1–4) clusters on cubic, monoclinic, and tetragonal ZrO2 surfaces: a first-principles study

New Journal of Chemistry ◽

10.1039/c9nj03769a ◽

2020 ◽

Vol 44 (6) ◽

pp. 2268-2274

Author(s):

Tingting Liu ◽

Yan Li ◽

Changhai Liang

Keyword(s):

First Principles ◽

Silver Clusters ◽

Tetragonal Zro2 ◽

First Principles Study

The adsorption and growth of silver clusters on different zirconia surfaces.

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Ab initio design of light absorption through silver atomic cluster decoration of TiO2

Physical Chemistry Chemical Physics ◽

10.1039/c8cp02853b ◽

2018 ◽

Vol 20 (28) ◽

pp. 19110-19119 ◽

Cited By ~ 13

Author(s):

María Pilar de Lara-Castells ◽

Carlos Cabrillo ◽

David A. Micha ◽

Alexander O. Mitrushchenkov ◽

Tijo Vazhappilly

Keyword(s):

Ab Initio ◽

Light Absorption ◽

First Principles ◽

Near Infrared ◽

Silver Clusters ◽

Atomic Cluster ◽

Absorption Bands ◽

First Principles Study

This first-principles study reveals how stable subnanometer silver clusters on a TiO2(110) surface lead to the onset of absorption bands in the near-infrared and visible regions.

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Enhancing photocatalytic activity for hydrogen production and pollutant degradation by modifying tetragonal ZrO2 with monolayers slab surface of BiVO4, Ag3PO4, SrTiO3 and WO3: A first-principles study

Computational Materials Science ◽

10.1016/j.commatsci.2017.07.016 ◽

2017 ◽

Vol 138 ◽

pp. 462-473 ◽

Cited By ~ 6

Author(s):

Francis Opoku ◽

Krishna Kuben Govender ◽

Cornelia Gertina Catharina Elizabeth van Sittert ◽

Penny Poomani Govender

Keyword(s):

Photocatalytic Activity ◽

Hydrogen Production ◽

First Principles ◽

Tetragonal Zro2 ◽

Slab Surface ◽

Pollutant Degradation ◽

First Principles Study

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A first-principles study of the influence of helium atoms on the optical response of small silver clusters

The Journal of Chemical Physics ◽

10.1063/1.3556821 ◽

2011 ◽

Vol 134 (8) ◽

pp. 084307 ◽

Cited By ~ 3

Author(s):

M. Pereiro ◽

D. Baldomir ◽

J. E. Arias

Keyword(s):

First Principles ◽

Optical Response ◽

Silver Clusters ◽

Helium Atoms ◽

First Principles Study

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First-Principles Study of Small Oxidized Silver Clusters

Journal of Nanoscience and Nanotechnology ◽

10.1166/jnn.2010.1960 ◽

2010 ◽

Vol 10 (8) ◽

pp. 5500-5506 ◽

Cited By ~ 3

Author(s):

Yao Wang ◽

Xin-Gao Gong

Keyword(s):

First Principles ◽

Silver Clusters ◽

First Principles Study

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First-principles study of intermediate size silver clusters: Shape evolution and its impact on cluster properties

The Journal of Chemical Physics ◽

10.1063/1.2351818 ◽

2006 ◽

Vol 125 (14) ◽

pp. 144308 ◽

Cited By ~ 57

Author(s):

M. Yang ◽

K. A. Jackson ◽

J. Jellinek

Keyword(s):

First Principles ◽

Silver Clusters ◽

Shape Evolution ◽

First Principles Study ◽

Intermediate Size ◽

Cluster Properties

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First-principles study of electronic structures of hexa- and dodecanuclear silver clusters coordinated with organic ligands

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2011.01.046 ◽

2011 ◽

Vol 965 (1) ◽

pp. 206-210 ◽

Cited By ~ 4

Author(s):

Jiong Tan ◽

Shengping Yu ◽

Qun Zeng ◽

Mingli Yang

Keyword(s):

First Principles ◽

Electronic Structures ◽

Organic Ligands ◽

Silver Clusters ◽

First Principles Study

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First-principles study of neutral and charged silver clusters

The European Physical Journal D ◽

10.1140/epjd/e2005-00103-0 ◽

2005 ◽

Vol 34 (1-3) ◽

pp. 19-22 ◽

Cited By ~ 17

Author(s):

Yao Wang ◽

X. G. Gong

Keyword(s):

First Principles ◽

Silver Clusters ◽

First Principles Study

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FIRST-PRINCIPLES STUDY OF MAGNETISM AND HALF-METALLIC PROPERTIES OF THE D0 QUATERNARY HEUSLER ALLOYS BANYO (Y = K, RB AND CS)

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782012006x ◽

2020 ◽

Vol 111 (11-12(6)) ◽

pp. 819-819

Author(s):

S. BENATMANE ◽

S. CHERID

Keyword(s):

First Principles ◽

Heusler Alloys ◽

Half Metallic ◽

First Principles Study ◽

Quaternary Heusler Alloys

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INSIGHT INTO STRUCTURAL, ELECTRONIC, MAGNETIC AND ELASTIC PROPERTIES OF FULL-HEUSLER ALLOYS CO2YPB (Y = TI, V, FE AND MO): A ﬁRST-PRINCIPLES STUDY

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782017005x ◽

2020 ◽

Vol 112 (5-6(9)) ◽

pp. 312-312

Author(s):

A. ZITOUNI ◽

G. REMIL ◽

B. BOUADJEMI ◽

W. BENSTAALI ◽

T. LANTRI ◽

...

Keyword(s):

Elastic Properties ◽

First Principles ◽

Heusler Alloys ◽

First Principles Study ◽

Full Heusler ◽

Full Heusler Alloys ◽

Insight Into

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First-Principles Study of Mn-rich Ni-Mn-Ga Alloys: Effect of Disorder on Martensitic Transformation

Shape Memory Alloys ◽

10.21741/9781644900017-22 ◽

2018 ◽

Keyword(s):

Martensitic Transformation ◽

First Principles ◽

First Principles Study ◽

Effect Of Disorder

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