First-principles study of hydroxyapatite surfaces and water adsorption

Physical Review B ◽

10.1103/physrevb.78.075427 ◽

2008 ◽

Vol 78 (7) ◽

Author(s):

R. Astala ◽

M. J. Stott

Keyword(s):

First Principles ◽

Water Adsorption ◽

First Principles Study

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Water adsorption at metal surfaces: A first-principles study of thep(3×3)R30°H2Obilayer on Ru(0001)

Physical Review B ◽

10.1103/physrevb.71.155414 ◽

2005 ◽

Vol 71 (15) ◽

Author(s):

Giuliana Materzanini ◽

Gian Franco Tantardini ◽

Philip J. D. Lindan ◽

Peter Saalfrank

Keyword(s):

First Principles ◽

Metal Surfaces ◽

Water Adsorption ◽

First Principles Study

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First-principles study of water adsorption and dissociation on the UO2 (1 1 1), (1 1 0) and (1 0 0) surfaces

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2014.09.001 ◽

2014 ◽

Vol 454 (1-3) ◽

pp. 446-454 ◽

Author(s):

Tao Bo ◽

Jian-Hui Lan ◽

Yao-Lin Zhao ◽

Yu-Juan Zhang ◽

Chao-Hui He ◽

...

Keyword(s):

First Principles ◽

Water Adsorption ◽

First Principles Study ◽

Adsorption And Dissociation

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First-principles study of water adsorption and a high-density interfacial ice structure on(1×1)-O/Rh(111)

Physical Review B ◽

10.1103/physrevb.82.115402 ◽

2010 ◽

Vol 82 (11) ◽

Author(s):

C. Thierfelder ◽

W. G. Schmidt

Keyword(s):

First Principles ◽

Water Adsorption ◽

High Density ◽

First Principles Study

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First-principles study of water adsorption on α-SiO2 [110] surface

AIP Advances ◽

10.1063/1.4960455 ◽

2016 ◽

Vol 6 (8) ◽

pp. 085001 ◽

Author(s):

Venu Mankad ◽

Prafulla K. Jha

Keyword(s):

First Principles ◽

Water Adsorption ◽

First Principles Study

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First-Principles Study of Water Adsorption on α-Al2O3(0001): Influence of Hydrogen Isotope

Fusion Science & Technology ◽

10.13182/fst11-a12620 ◽

2011 ◽

Vol 60 (3) ◽

pp. 1155-1158

Author(s):

N. Nunomura ◽

S. Sunada ◽

K. Watanabe

Keyword(s):

First Principles ◽

Hydrogen Isotope ◽

Water Adsorption ◽

First Principles Study ◽

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Multilayer water adsorption on rutile TiO2(110): A first-principles study

The Journal of Chemical Physics ◽

10.1063/1.1543983 ◽

2003 ◽

Vol 118 (10) ◽

pp. 4620-4630 ◽

Author(s):

Changjun Zhang ◽

Philip J. D. Lindan

Keyword(s):

First Principles ◽

Water Adsorption ◽

Rutile Tio2 ◽

First Principles Study

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First-Principles Study of the Water Adsorption on Anatase(101) as a Function of the Coverage

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.8b05081 ◽

2018 ◽

Vol 122 (36) ◽

pp. 20736-20744 ◽

Author(s):

Ruth Martinez-Casado ◽

Giuseppe Mallia ◽

Nicholas M. Harrison ◽

Rubén Pérez

Keyword(s):

First Principles ◽

Water Adsorption ◽

First Principles Study

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A first principles study of water adsorption on α-Pu (020) surface

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2012.02.016 ◽

2012 ◽

Vol 424 (1-3) ◽

pp. 138-145 ◽

Author(s):

Jianguang Wang ◽

Asok K. Ray

Keyword(s):

First Principles ◽

Water Adsorption ◽

First Principles Study

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A First-principles study of water adsorption at step edge on rutile TiO<sub>2</sub>(110) surface

Scientia Sinica Chimica ◽

10.1360/032011-260 ◽

2012 ◽

Vol 42 (6) ◽

pp. 806-814

Author(s):

ZhongQuan Ma ◽

Feng HONG ◽

YuHeng NI ◽

Yonghua LI ◽

WenJuan XU ◽

...

Keyword(s):

First Principles ◽

Water Adsorption ◽

Step Edge ◽

First Principles Study

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First principles study of water adsorption on the (100) surface of zircon: Implications for zircon dissolution

American Mineralogist ◽

10.2138/am-2001-0715 ◽

2001 ◽

Vol 86 (7-8) ◽

pp. 910-914 ◽

Author(s):

Etienne Balan ◽

Francesco Mauri ◽

Jean-Pierre Muller ◽

Georges Calas

Keyword(s):

First Principles ◽

Water Adsorption ◽

First Principles Study

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