Exploring the water adsorption and reactivity in series of doped aluminum cluster anions

Physical Chemistry Chemical Physics ◽

10.1039/d1cp03104j ◽

2021 ◽

Author(s):

Martin Šulka ◽

Katarína Šulková ◽

Andrej Antusek

Keyword(s):

Density Functional ◽

Water Adsorption ◽

Functional Study ◽

Cluster Anions ◽

Aluminum Cluster ◽

Density Functional Study ◽

In Series ◽

Adsorption Of Water

We present a systematic density functional study of central- and surface-doped aluminum cluster anions Al12X- (X=Mg, B, Ga, Si, P, Sc-Zn), their interactions and reactivity with water. Adsorption of water...

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Water adsorption on rutile TiO2(110) for applications in solar hydrogen production: A systematic hybrid-exchange density functional study

Physical Review B ◽

10.1103/physrevb.86.045302 ◽

2012 ◽

Vol 86 (4) ◽

Cited By ~ 24

Author(s):

M. Patel ◽

G. Mallia ◽

L. Liborio ◽

N. M. Harrison

Keyword(s):

Hydrogen Production ◽

Density Functional ◽

Water Adsorption ◽

Functional Study ◽

Solar Hydrogen ◽

Rutile Tio2 ◽

Density Functional Study ◽

Solar Hydrogen Production

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Density functional study of the structure and water adsorption activity of an Al$_{30}$O$_{30}$ star-shaped alumina nanocage

TURKISH JOURNAL OF CHEMISTRY ◽

10.3906/kim-1501-69 ◽

2016 ◽

Vol 40 ◽

pp. 54-64

Author(s):

Mehdi ZAMANI

Keyword(s):

Density Functional ◽

Water Adsorption ◽

Functional Study ◽

Adsorption Activity ◽

Density Functional Study

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Adsorption of water on graphene: A van der Waals density functional study

Physical Review B ◽

10.1103/physrevb.86.195436 ◽

2012 ◽

Vol 86 (19) ◽

Cited By ~ 68

Author(s):

Ikutaro Hamada

Keyword(s):

Density Functional ◽

Van Der Waals ◽

Functional Study ◽

Density Functional Study ◽

Adsorption Of Water

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Density-functional study of water adsorption on thePuO2(110)surface

Physical Review B ◽

10.1103/physrevb.65.085403 ◽

2002 ◽

Vol 65 (8) ◽

Cited By ~ 116

Author(s):

Xueyuan Wu ◽

Asok K. Ray

Keyword(s):

Density Functional ◽

Water Adsorption ◽

Functional Study ◽

Density Functional Study

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Elastic polarizable environment cluster embedding approach for water adsorption on the α-Al2O3(0001) surface. A density functional study

Physical Chemistry Chemical Physics ◽

10.1039/b407082h ◽

2004 ◽

Vol 6 (18) ◽

pp. 4505-4513 ◽

Cited By ~ 10

Author(s):

Lyudmila V. Moskaleva ◽

Vladimir A. Nasluzov ◽

Zhao-Xu Chen ◽

Notker Rösch

Keyword(s):

Density Functional ◽

Water Adsorption ◽

Functional Study ◽

Density Functional Study ◽

Α Al2o3

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Minimal size of endohedral singly vanadium-doped aluminum cluster: a density-functional study

The European Physical Journal D ◽

10.1140/epjd/e2013-40306-0 ◽

2013 ◽

Vol 67 (12) ◽

Cited By ~ 1

Author(s):

Yawen Hua ◽

Yiliang Liu ◽

Gang Jiang ◽

Jun Chen

Keyword(s):

Density Functional ◽

Functional Study ◽

Minimal Size ◽

Aluminum Cluster ◽

Density Functional Study ◽

Cluster A

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Initial adsorption of water molecule on HfC and TaC (001) surfaces from density-functional study

Applied Surface Science ◽

10.1016/j.apsusc.2013.10.182 ◽

2014 ◽

Vol 290 ◽

pp. 35-39 ◽

Cited By ~ 3

Author(s):

Dongliang Liu ◽

Jianguo Deng ◽

Yongzhong Jin

Keyword(s):

Water Molecule ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Adsorption Of Water ◽

Initial Adsorption

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Density functional study of AunNi− (n=1–5) cluster anions

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2008.10.033 ◽

2009 ◽

Vol 896 (1-3) ◽

pp. 1-5 ◽

Cited By ~ 10

Author(s):

Jian-Jun Guo ◽

Ji-Xian Yang ◽

Dong Die

Keyword(s):

Density Functional ◽

Functional Study ◽

Cluster Anions ◽

Density Functional Study

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Combinedab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide

Journal of Computational Chemistry ◽

10.1002/jcc.5 ◽

1996 ◽

Vol 17 (16) ◽

pp. 1848-1856 ◽

Cited By ~ 2

Author(s):

Guntram Rauhut

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of the First-Row Transition-Metal Monoxides*

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.1996.1.1.039 ◽

1996 ◽

Vol 1 (1) ◽

pp. 39-49

Author(s):

J. Piechota ◽

M. Suffczyński

Keyword(s):

Transition Metal ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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