Beryllium and Magnesium Metal Clusters: New Globally Stable Structures and G0W0 Calculations

2021 ◽  
Vol 125 (7) ◽  
pp. 1424-1435
Author(s):  
Sunila Bakhsh ◽  
Xiaohui Liu ◽  
Yanyong Wang ◽  
Lixin He ◽  
Xinguo Ren
Keyword(s):  
Metal Clusters ◽  
Magnesium Metal ◽  
Globally Stable ◽  
Stable Structures

Globally stable structures of LixZn (x = 1–4) compounds at high pressures

2016 ◽  
Vol 18 (6) ◽  
pp. 4437-4443 ◽  
Author(s):  
Haixin Bi ◽  
Shoutao Zhang ◽  
Shubo Wei ◽  
Jianyun Wang ◽  
Dan Zhou ◽  
...  
Keyword(s):  
Convex Hull ◽  
High Pressures ◽  
Globally Stable ◽  
Stable Structures

The convex hull diagram of LixZn (x= 1–4) and LiZn in thePm3̄mstructure at 100 GPa.

Stable structures and electronic properties of 6-atom noble metal clusters using density functional theory

2012 ◽  
Vol 14 (8) ◽  
Author(s):  
N. Phaisangittisakul ◽  
K. Paiboon ◽  
T. Bovornratanaraks ◽  
U. Pinsook
Keyword(s):  
Density Functional Theory ◽  
Electronic Properties ◽  
Noble Metal ◽  
Density Functional ◽  
Metal Clusters ◽  
Functional Theory ◽  
Stable Structures

Preparation and hydriding behavior of magnesium metal clusters formed in low-temperature cocondensation: application of magnesium for hydrogen storage

1984 ◽  
Vol 23 (16) ◽  
pp. 2509-2511 ◽  
Author(s):  
H. Imamura ◽  
T. Nobunaga ◽  
M. Kawahigashi ◽  
S. Tsuchiya
Keyword(s):  
Low Temperature ◽  
Hydrogen Storage ◽  
Metal Clusters ◽  
Magnesium Metal

Production and STEM examination of controlled-size silver clusters

1983 ◽  
Vol 41 ◽  
pp. 338-339
Author(s):  
M. A. Listvan ◽  
R. P. Andres
Keyword(s):  
Cluster Size ◽  
Metal Clusters ◽  
Experimental Parameter ◽  
Carbon Films ◽  
Metal Species ◽  
Silver Clusters ◽  
Free Jet ◽  
Size Dependent ◽  
Cluster Properties ◽  
Controllable Size

Knowledge of the function and structure of small metal clusters is one goal of research in catalysis. One important experimental parameter is cluster size. Ideally, one would like to produce metal clusters of regulated size in order to characterize size-dependent cluster properties.A source has been developed which is capable of producing microscopic metal clusters of controllable size (in the range 5-500 atoms) This source, the Multiple Expansion Cluster Source, with a Free Jet Deceleration Filter (MECS/FJDF) operates as follows. The bulk metal is heated in an oven to give controlled concentrations of monomer and dimer which were expanded sonically. These metal species were quenched and condensed in He and filtered to produce areosol particles of a controlled size as verified by mass spectrometer measurements. The clusters were caught on pre-mounted, clean carbon films. The grids were then transferred in air for microscopic examination. MECS/FJDF was used to produce two different sizes of silver clusters for this study: nominally Ag6 and Ag50.

Short Communication: Synthesis of Polymer-Embedded Metal Clusters by Thermolysis of Mercaptides—Polymer Blends

Polymer News ◽  
2005 ◽  
Vol 30 (9) ◽  
pp. 296-300
Author(s):  
F. Esposito ◽  
V. Casuscelli ◽  
M. V. Volpe ◽  
G. Carotenuto ◽  
L. Nicolais
Keyword(s):  
Polymer Blends ◽  
Short Communication ◽  
Metal Clusters ◽  
Communication Synthesis

Gas-Phase Clustering of NO+ with H2S and H2O

2007 ◽  
Vol 72 (8) ◽  
pp. 1122-1138 ◽  
Author(s):  
Milan Uhlár ◽  
Ivan Černušák
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Gas Phase ◽  
Saddle Points ◽  
Solvent Molecule ◽  
Local Minima ◽  
Additional Water ◽  
Three Body ◽  
Rain Formation ◽  
Stable Structures

The complex NO+·H2S, which is assumed to be an intermediate in acid rain formation, exhibits thermodynamic stability of ∆Hº300 = -76 kJ mol-1, or ∆Gº300 = -47 kJ mol-1. Its further transformation via H-transfer is associated with rather high barriers. One of the conceivable routes to lower the energy of the transition state is the action of additional solvent molecule(s) that can mediate proton transfer. We have studied several NO+·H2S structures with one or two additional water molecule(s) and have found stable structures (local minima), intermediates and saddle points for the three-body NO+·H2S·H2O and four-body NO+·H2S·(H2O)2 clusters. The hydrogen bonds network in the four-body cluster plays a crucial role in its conversion to thionitrous acid.

Structural reconstruction of germanosilicate frameworks by controlled hydrogen reduction

2019 ◽  
Vol 55 (13) ◽  
pp. 1883-1886 ◽  
Author(s):  
Yue Ma ◽  
Hao Xu ◽  
Xue Liu ◽  
Mingming Peng ◽  
Wenting Mao ◽  
...  
Keyword(s):  
Metal Clusters ◽  
Hydrogen Reduction ◽  
Hydrogen Atmosphere ◽  
Water Washing

Calcined UTL-type germanosilicate was firstly reduced in a hydrogen atmosphere at an appropriate temperature. Then, air-calcination and water-washing procedures were performed to remove the Ge metal clusters or crystals originated from the reduction of skeleton germanium(iv) to yield pure zeolite phase of two daughter structures analogous to IPC-2 and IPC-6.

Insights into oxygen activation on metal clusters for catalyst design

2021 ◽  
Author(s):  
LiXin Chen ◽  
Zi Wen ◽  
Zhi Wen Chen ◽  
Qing Jiang ◽  
Chandra Veer Singh
Keyword(s):  
Metal Clusters ◽  
Aerobic Oxidation ◽  
Oxygen Activation ◽  
Vital Role ◽  
Catalyst Design ◽  
Activation Mechanism ◽  
Oxidation Reactions

The activation mechanism of O2 molecules plays a vital role in the development of catalysts for aerobic oxidation reactions. To gain insights into the activation mechanism of O2, the square...

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