scholarly journals On the tuning of electric conductance of extended metal atom chains via axial ligands for [Ru3(μ3-dpa)4(X)2]0/+ (X = NCS−, CN−)

2010 ◽  
Vol 46 (8) ◽  
pp. 1338 ◽  
Author(s):  
Kai-Neng Shih ◽  
Min-Jie Huang ◽  
Hao-Cheng Lu ◽  
Ming-Dung Fu ◽  
Ching-Kuo Kuo ◽  
...  
Keyword(s):  
Metal Atom ◽  
Electric Conductance ◽  
Axial Ligands

Electronic properties of quasi two-dimensional transition metals chalcogenides with low-dimensional magnetism

Doklady BGUIR ◽  
2020 ◽  
Vol 18 (7) ◽  
pp. 87-95
Author(s):  
M. S. Baranava ◽  
P. A. Praskurava
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Exchange Interaction ◽  
Electronic Properties ◽  
Metal Atom ◽  
Transition Metal Atom ◽  
Two Dimensional ◽  
Transition Metal Atoms ◽  
Ground Magnetic ◽  
Low Dimensional

The search for fundamental physical laws which lead to stable high-temperature ferromagnetism is an urgent task. In addition to the already synthesized two-dimensional materials, there remains a wide list of possible structures, the stability of which is predicted theoretically. The article suggests the results of studying the electronic properties of MAX3 (M = Cr, Fe, A = Ge, Si, X = S, Se, Te) transition metals based compounds with nanostructured magnetism. The research was carried out using quantum mechanical simulation in specialized VASP software and calculations within the Heisenberg model. The ground magnetic states of twodimensional MAX3 and the corresponding energy band structures are determined. We found that among the systems under study, CrGeTe3 is a semiconductor nanosized ferromagnet. In addition, one is a semiconductor with a bandgap of 0.35 eV. Other materials are antiferromagnetic. The magnetic moment in MAX3 is localized on the transition metal atoms: in particular, the main one on the d-orbital of the transition metal atom (and only a small part on the p-orbital of the chalcogen). For CrGeTe3, the exchange interaction integral is calculated. The mechanisms of the formation of magnetic order was established. According to the obtained exchange interaction integrals, a strong ferromagnetic order is formed in the semiconductor plane. The distribution of the projection density of electronic states indicates hybridization between the d-orbital of the transition metal atom and the p-orbital of the chalcogen. The study revealed that the exchange interaction by the mechanism of superexchange is more probabilistic.

Activating Metal Oxides Nanocatalysts for Electrocatalytic Water Oxidation by Quenching-Induced Near-Surface Metal Atom Functionality

2021 ◽  
Vol 143 (35) ◽  
pp. 14169-14177
Author(s):  
Changchun Ye ◽  
Juzhe Liu ◽  
Qinghua Zhang ◽  
Xiaojing Jin ◽  
Yun Zhao ◽  
...  
Keyword(s):  
Metal Oxides ◽  
Metal Atom ◽  
Water Oxidation ◽  
Near Surface ◽  
Surface Metal ◽  
Surface Metal Atom

Effect of metal atom in zeolitic imidazolate frameworks (ZIF-8 & 67) for removal of Pb2+ & Hg2+ from water

2021 ◽  
Vol 149 ◽  
pp. 112008
Author(s):  
Khalil Ahmad ◽  
Habib-ur-Rehman Shah ◽  
Muhammad Ashfaq ◽  
Syed Shoaib Ahmad Shah ◽  
Ejaz Hussain ◽  
...  
Keyword(s):  
Metal Atom ◽  
Zeolitic Imidazolate Frameworks

Theoretical insights into the thermal reduction of N2 to NH3 over a single metal atom incorporated nitrogen-doped graphene

2021 ◽  
Vol 154 (5) ◽  
pp. 054703
Author(s):  
Zhongpu Fang ◽  
Qi Wang ◽  
Yanli Li ◽  
Yi Li ◽  
Shuping Huang ◽  
...  
Keyword(s):  
Metal Atom ◽  
Thermal Reduction ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Incorporated Nitrogen

scholarly journals Highly dispersed Pt atoms and clusters on hydroxylated indium tin oxide: A view from first-principles calculations

2021 ◽  
Author(s):  
Simran Kumari ◽  
Philippe Sautet
Keyword(s):  
Heterogeneous Catalysis ◽  
Metal Atom ◽  
Tin Oxide ◽  
Indium Tin Oxide ◽  
First Principles ◽  
Catalytic Performance ◽  
Small Cluster ◽  
Single Atom ◽  
First Principles Calculations ◽  
Highly Dispersed

Supported single-atom and small cluster catalysts have become highly popular in heterogeneous catalysis. These catalysts can maximize the metal atom utilization while still showcasing superior catalytic performance. One of the...

Sign in / Sign up

Export Citation Format

Share Document