Stability, structural and electronic properties of benzene molecule adsorbed on free standing Au layer

2016 ◽  
Author(s):  
Neha Katoch ◽  
Pooja Kapoor ◽  
Munish Sharma ◽  
Ashok Kumar ◽  
P. K. Ahluwalia
Keyword(s):  
Electronic Properties ◽  
Benzene Molecule ◽  
Free Standing ◽  
Structural And Electronic Properties

scholarly journals Structural and Electronic Properties of Low-Dimensional C-Nanoassemblies and Possible Analogues for Si (and Ge)

2011 ◽  
Vol 2011 ◽  
pp. 1-9 ◽  
Author(s):  
N. H. March ◽  
A. Rubio
Keyword(s):  
Electronic Properties ◽  
Benzene Molecule ◽  
Photonic Devices ◽  
Future Directions ◽  
Structural And Electronic Properties ◽  
Technological Developments ◽  
Low Dimensional ◽  
Very High ◽  
Boron Carbon ◽  
Carbon Based

The delocalised nature ofπ-electrons in carbon-based compounds has opened a huge path for new fundamental and technological developments using carbon-based materials of different dimensionality (from clusters, to surfaces, nanotubes and graphene, among others). The success of this field has prompted the proposal that other inorganic structures based on B and N and more recently on Si and Ge could be formed with specific structural, mechanical, and electronic properties. In this paper we provide an analysis of the similarities of the two fields starting from the analysis of the Si6H6molecule, the analogue of the benzene molecule but now being nonplanar. Then we move to the study of the two-dimensional (buckled) analogues of graphene but now formed by Si and Ge. Similarly, we look to nonplanar compounds based on boron and boron-carbon nitrogen composites. In particular, we focus on the mechanical properties of those new materials that exhibit a very high stiffness, resilience, and flexibility. Possible applications in the fields of catalysis, lubrication, electronic, and photonic devices now seem a likely by-product. We also address future directions triggered by the predicted superconducting properties of graphene, among other areas.

scholarly journals Effect of Substrate on Structural and Electronic Properties of Au-Pd, Au-Pt and Au-Ag Atomic Chains

2020 ◽  
pp. 7-18
Author(s):  
Mudra R. Dave ◽  
A. C. Sharma
Keyword(s):  
Electronic Structure ◽  
Electronic Properties ◽  
Magnetic Moment ◽  
Ground State ◽  
Substrate Effect ◽  
Free Standing ◽  
Cu Substrate ◽  
Structural And Electronic Properties ◽  
Atomic Chains

We report structure and electronic properties of Au-Pd, Au-Pt and Au-Ag bimetallic atomic chains absorbed on NiAl(110) and Cu(110) substrate. It is found that the presence of substrate significantly influences the electronic structure of the chains. Atoms of single chains of Au-Pd, Au-Pt and Au-Ag bind more strongly with Ni atoms of NiAl substrate, as compared with Cu atoms in Cu(110). The interaction between chain atoms is found stronger than the chain-substrate atoms, when chains are placed on Cu substrate, while it is other way round in case of chains on NiAl substrate. Effect of change in positions of atoms in bimetallic chains in presence of substrate is studied by placing double chains of Au-Pd, Au-Pt and Au-Ag on Cu (110) substrate in three different configurations. It is found that Au-Pd and Au-Pt bimetallic chains stabilize in double zigzag topology, when placed on Cu (110) substrate. While Au-Ag chains exhibit ladder topology on Cu(110) substrate. Ferromagnetism that is observed in ground state of free standing chains of Au-Pd and Au-Pt is not found when chains are absorbed on NiAl(110) and Cu(110) substrate. It is likely that the interaction between chain and substrate atoms results to zero magnetic moment.

Structural and electronic properties of ZnMgO/ZnO quantum wells

2005 ◽  
Vol 38 (4-6) ◽  
pp. 455-463 ◽  
Author(s):  
C. Morhain ◽  
X. Tang ◽  
M. Teisseire-Doninelli ◽  
B. Lo ◽  
M. Laügt ◽  
...  
Keyword(s):  
Quantum Wells ◽  
Electronic Properties ◽  
Structural And Electronic Properties

scholarly journals A DFT Study of Structural and Electronic Properties of ZnS Polymorphs and its Pressure-Induced Phase Transitions

2014 ◽  
Vol 97 (12) ◽  
pp. 4011-4018 ◽  
Author(s):  
Felipe A. La Porta ◽  
Lourdes Gracia ◽  
Juan Andrés ◽  
Júlio R. Sambrano ◽  
Jose A. Varela ◽  
...  
Keyword(s):  
Phase Transitions ◽  
Electronic Properties ◽  
Dft Study ◽  
Structural And Electronic Properties
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