Interplay between Layer-Resolved Chemical Composition and Electronic Structure in a Sn/Pt(110) Surface Alloy

2011 ◽  
Vol 115 (29) ◽  
pp. 14264-14269 ◽  
Author(s):  
Stefano Agnoli ◽  
Giovanni Barcaro ◽  
Andrea Barolo ◽  
Alessandro Fortunelli ◽  
Mauro Sambi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Chemical Composition ◽  
Surface Alloy

Structural/Property Relationships for Optical Materials

1993 ◽  
Vol 329 ◽  
Author(s):  
Vivien D.
Keyword(s):  
Crystal Structure ◽  
Optical Properties ◽  
Electronic Structure ◽  
Chemical Composition ◽  
Field Strength ◽  
Optical Materials ◽  
Site Occupancy ◽  
Laser Materials ◽  
Crystal Field Strength ◽  
The Matrix

AbstractIn this paper the relationships between the crystal structure, chemical composition and electronic structure of laser materials, and their optical properties are discussed. A brief description is given of the different laser activators and of the influence of the matrix on laser characteristics in terms of crystal field strength, symmetry, covalency and phonon frequencies. The last part of the paper lays emphasis on the means to optimize the matrix-activator properties such as control of the oxidation state and site occupancy of the activator and influence of its concentration.

scholarly journals Quantum algorithm for alchemical optimization in material design

2021 ◽  
Author(s):  
Panagiotis Kl. Barkoutsos ◽  
Fotios Gkritsis ◽  
Pauline J. Ollitrault ◽  
Igor O. Sokolov ◽  
Stefan Woerner ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Drug Discovery ◽  
Chemical Composition ◽  
Quantum Algorithm ◽  
Material Design ◽  
Quantum Mechanical ◽  
Near Future

‘Alchemical’ quantum algorithm for the simultaneous optimisation of chemical composition and electronic structure for material design. By exploiting quantum mechanical principles this approach will boost drug discovery in the near future.

Atomic and Electronic Structure of V–Rh(110) Near-Surface Alloy

2013 ◽  
Vol 117 (24) ◽  
pp. 12679-12688 ◽  
Author(s):  
Igor Píš ◽  
Vitalii Stetsovych ◽  
Josef Mysliveček ◽  
Miroslav Kettner ◽  
Martin Vondráček ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Surface Alloy ◽  
Near Surface ◽  
Atomic And Electronic Structure

Chemical composition and electronic structure of the passive layer formed on stainless steels in a glucose-oxidase solution

2008 ◽  
Vol 54 (1) ◽  
pp. 123-132 ◽  
Author(s):  
C. Marconnet ◽  
Y. Wouters ◽  
F. Miserque ◽  
C. Dagbert ◽  
J.-P. Petit ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Chemical Composition ◽  
Glucose Oxidase ◽  
Stainless Steels ◽  
Passive Layer

Chemical composition and electronic structure of anodic passive films on low-C 13CrNiMo stainless steel

2015 ◽  
Vol 20 (4) ◽  
pp. 1065-1074 ◽  
Author(s):  
C. A. Gervasi ◽  
C. M. Méndez ◽  
A. E. Bolzán ◽  
P. D. Bilmes ◽  
C. L. Llorente
Keyword(s):  
Stainless Steel ◽  
Electronic Structure ◽  
Chemical Composition ◽  
Passive Films

WITHDRAWN: Chemical composition and electronic structure of passive films formed on Alloy 600 in acidic solution

2008 ◽  
Vol 50 (4) ◽  
pp. 968-977 ◽  
Author(s):  
L.A.S. Ries ◽  
M. Da Cunha Belo ◽  
M.G.S. Ferreira ◽  
I.L. Muller
Keyword(s):  
Electronic Structure ◽  
Chemical Composition ◽  
Acidic Solution ◽  
Passive Films ◽  
Alloy 600

scholarly journals Chemical composition and electronic structure of high-temperature superconductors:Ba2EuCu3O7−xandLa2−xSrxCuO4

1988 ◽  
Vol 37 (4) ◽  
pp. 1611-1615 ◽  
Author(s):  
Ming Tang ◽  
Y. Chang ◽  
M. Onellion ◽  
J. Seuntjens ◽  
D. C. Larbalestier ◽  
...  
Keyword(s):  
Electronic Structure ◽  
High Temperature ◽  
Chemical Composition

Electronic structure studies of a clock-reconstructed Al/Pd(100) surface alloy

2008 ◽  
Vol 602 (4) ◽  
pp. 943-951 ◽  
Author(s):  
Janet E. Kirsch ◽  
Craig J. Tainter
Keyword(s):  
Electronic Structure ◽  
Surface Alloy

scholarly journals Nanoglasses: a new kind of noncrystalline materials

2013 ◽  
Vol 4 ◽  
pp. 517-533 ◽  
Author(s):  
Herbert Gleiter
Keyword(s):  
Electronic Structure ◽  
Chemical Composition ◽  
Nearest Neighbor ◽  
Volume Fraction ◽  
New Class ◽  
Quenched Glass ◽  
Atomic And Electronic Structure ◽  
The Way

Nanoglasses are a new class of noncrystalline solids. They differ from today’s glasses due to their microstructure that resembles the microstructure of polycrystals. They consist of regions with a melt-quenched glassy structure connected by interfacial regions, the structure of which is characterized (in comparison to the corresponding melt-quenched glass) by (1) a reduced (up to about 10%) density, (2) a reduced (up to about 20%) number of nearest-neighbor atoms and (3) a different electronic structure. Due to their new kind of atomic and electronic structure, the properties of nanoglasses may be modified by (1) controlling the size of the glassy regions (i.e., the volume fraction of the interfacial regions) and/or (2) by varying their chemical composition. Nanoglasses exhibit new properties, e.g., a Fe90Sc10 nanoglass is (at 300 K) a strong ferromagnet whereas the corresponding melt-quenched glass is paramagnetic. Moreover, nanoglasses were noted to be more ductile, more biocompatible, and catalytically more active than the corresponding melt-quenched glasses. Hence, this new class of noncrystalline materials may open the way to technologies utilizing the new properties.

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