scholarly journals Kinetic Expression for Optimal Catalyst Electronic Configuration: The Case of Ammonia Decomposition

2020 ◽  
Vol 124 (48) ◽  
pp. 26310-26319
Author(s):  
Nigora Turaeva ◽  
Rebecca Fushimi ◽  
Gregory Yablonsky
Keyword(s):  
Electronic Configuration ◽  
Ammonia Decomposition ◽  
Kinetic Expression

Quantum-chemical analysis of small silver clusters

1987 ◽  
Vol 52 (7) ◽  
pp. 1652-1657 ◽  
Author(s):  
Grigorii V. Gadiyak ◽  
Yurii N. Morokov ◽  
Mojmír Tomášek
Keyword(s):  
Hard Spheres ◽  
Electronic Configuration ◽  
Close Packing ◽  
Basis Sets ◽  
Silver Clusters ◽  
Quantum Chemical Analysis ◽  
Spin Distribution ◽  
Spin Polarized ◽  
Atomic Silver ◽  
Equilibrium Geometries

Total energy calculations of three- and four-atomic silver clusters have been performed by the spin-polarized version of the CNDO/2 method to get the most stable equilibrium geometries, atomization energies, and charge and spin distribution on the atoms for three different basis sets: {s}, {sp}, and {spd}. When viewed from the equilateral triangle and square geometries, the last electronic configuration, i.e. the {spd} one, appears to be most stable with respect to the geometrical deformations considered. In this case, the behaviour of the atoms of both clusters resembles that of hard spheres (i.e. close-packing).

scholarly journals A Review on Enhancing the Antibacterial Activity of ZnO: Mechanisms and Microscopic Investigation

2020 ◽  
Vol 15 (1) ◽  
Author(s):  
Buzuayehu Abebe ◽  
Enyew Amare Zereffa ◽  
Aschalew Tadesse ◽  
H. C. Ananda Murthy
Keyword(s):  
Electron Microscopy ◽  
Scanning Electron Microscopy ◽  
Antibacterial Activity ◽  
Field Emission ◽  
Volume Ratio ◽  
Electronic Configuration ◽  
Microscopic Investigation ◽  
Electron Microscopic ◽  
Active Materials ◽  
Scanning Electron

Abstract Metal oxide nanomaterials are one of the preferences as antibacterial active materials. Due to its distinctive electronic configuration and suitable properties, ZnO is one of the novel antibacterial active materials. Nowadays, researchers are making a serious effort to improve the antibacterial activities of ZnO by forming a composite with the same/different bandgap semiconductor materials and doping of ions. Applying capping agents such as polymers and plant extract that control the morphology and size of the nanomaterials and optimizing different conditions also enhance the antibacterial activity. Forming a nanocomposite and doping reduces the electron/hole recombination, increases the surface area to volume ratio, and also improves the stability towards dissolution and corrosion. The release of antimicrobial ions, electrostatic interaction, reactive oxygen species (ROS) generations are the crucial antibacterial activity mechanism. This review also presents a detailed discussion of the antibacterial activity improvement of ZnO by forming a composite, doping, and optimizing different conditions. The morphological analysis using scanning electron microscopy, field emission-scanning electron microscopy, field-emission transmission electron microscopy, fluorescence microscopy, and confocal microscopy can confirm the antibacterial activity and also supports for developing a satisfactory mechanism. Graphical abstract Graphical abstract showing the metal oxides antibacterial mechanism and the fluorescence and scanning electron microscopic images.

Ligand Influence Versus Electronic Configuration of d-metal Ion in Determining the Fate of NIR Emission from LnIII Ions: A Case Study with CuII, NiII and ZnII Complexes.

2021 ◽  
Author(s):  
Abhineet Verma ◽  
Sk Saddam Hossain ◽  
Sailaja S Sunkari ◽  
Joseph Reibenspies ◽  
Satyen Saha
Keyword(s):  
Metal Ion ◽  
Selection Rule ◽  
Near Infrared ◽  
Electronic Configuration ◽  
Infrared Region ◽  
Direct Excitation ◽  
Characteristic Emission ◽  
Nir Emission ◽  
Near Infrared Region

Lanthanides (LnIII) are well known for their characteristic emission in the Near-Infrared Region (NIR). However, direct excitation of lanthanides is not feasible as described by Laporte’s parity selection rule. Here,...

COx-free hydrogen production via ammonia decomposition over mesoporous Co/Al2O3 catalysts with highly dispersed Co species synthesized by a facile method

2021 ◽  
Author(s):  
Yingqiu Gu ◽  
Di Xu ◽  
Yun Huang ◽  
Zhouyang Long ◽  
Guojian Chen
Keyword(s):  
Fuel Cells ◽  
Hydrogen Production ◽  
Transition Metal ◽  
Transition Metals ◽  
Ammonia Decomposition ◽  
Metal Catalyst ◽  
Facile Synthesis ◽  
Transition Metal Catalyst ◽  
Highly Dispersed ◽  
Free Hydrogen

Transition metals have been considered as potential catalysts for ammonia decomposition to produce COx-free hydrogen for fuel cells. However, the facile synthesis of transition metal catalyst with small size active...

Highly Dispersed Ruthenium Nanoparticles on Y 2 O 3 as Superior Catalyst for Ammonia Decomposition

ChemCatChem ◽  
2021 ◽  
Author(s):  
Ji Feng ◽  
Lin Liu ◽  
Xiaohua Ju ◽  
Jiemin Wang ◽  
Xilun Zhang ◽  
...  
Keyword(s):  
Ammonia Decomposition ◽  
Ruthenium Nanoparticles ◽  
Highly Dispersed

scholarly journals Zum Einbau von einigen Lanthaniden in Gd2Cl3 / Incorporation of Some Lanthanides into Gd2Cl3

1987 ◽  
Vol 42 (6) ◽  
pp. 666-668 ◽  
Author(s):  
A. Simon ◽  
Hj. Mattausch ◽  
N. B. Mikheev ◽  
C. Keller
Keyword(s):  
Electronic Configuration ◽  
Radioactive Isotopes ◽  
Redox Potentials ◽  
Crystallization Experiments

Abstract Co-crystallization experiments with radioactive isotopes of lanthanides (Ce, Nd, Eu, Gd, Tb, Dy, Tm, Yb) show that only Tb is incorporated by Gd2Cl3 in a significant amount. The results are discussed in terms of the electronic configuration of Ln2+ ions as well as redox potentials E°(Ln3+/Ln2+).

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