Arups Studies of the Interaction of Co with the Interface States for Strained-Layer Cu on Ru 0001)

1986 ◽  
Vol 83 ◽  
Author(s):  
J. E. Houston ◽  
C. H. F. Peden ◽  
P. J. Feibelman ◽  
D. R. Hamann
Keyword(s):  
Catalytic Activity ◽  
Binding Energy ◽  
Electronic Properties ◽  
Tensile Strain ◽  
Co Adsorption ◽  
Surface States ◽  
Direct Interaction ◽  
Interface States ◽  
Adsorption Properties ◽  
Chemical Behavior

ABSTRACTDuring the growth of the first monolayer, Cu has been shown to form in 2d islands pseudomorphic to the Ru 0001) surface under a tensile strain of -6%. The chemical behavior of such films has been found to be unlike that of either of the pure elements both from the standpoint of catalytic activity and molecular adsorption properties. In addition, these strainedlayer films have unique electronic properties. Specifically, we have identified a set of interface and surface states near the K point in the surface Brillioun zone. Here are shown new results concerning the behavior of the interface states with respect to CO adsorption. Specifically, CO is found to attenuate all Cu/Ru ARUPS structures except those due to the antibonding components of the interface states and these components move to higher binding energy with CO coverage. An analysis of these results, based on the properties of the interface states, indicates that there is negligible direct interaction between the CO orbitals and the metal d states. The increased bonding that is seen for CO on Cu/Ru compared to CO on Cu is suggested to result from an enchanced polarizability of the Cu 4s states due to the proximity of the Ru substate.

SPACE-CHARGE SPECTROSCOPY OF ELECTRONIC STATES IN Ge/Si QUANTUM DOTS WITH TYPE-II BAND ALIGNMENT

2007 ◽  
Vol 06 (05) ◽  
pp. 353-356
Author(s):  
A. I. YAKIMOV ◽  
A. V. DVURECHENSKII ◽  
A. I. NIKIFOROV ◽  
A. A. BLOSHKIN
Keyword(s):  
Quantum Dots ◽  
Electronic Structure ◽  
Binding Energy ◽  
Space Charge ◽  
Tensile Strain ◽  
Electronic States ◽  
Band Alignment ◽  
Type Ii ◽  
Electron Confinement ◽  
Si Quantum Dots

Space-charge spectroscopy was employed to study electronic structure in a stack of four layers of Ge quantum dots coherently embedded in an n-type Si (001) matrix. Evidence for an electron confinement in the vicinity of Ge dots was found. From the frequency-dependent measurements the electron binding energy was determined to be ~50 meV, which is consistent with the results of numerical analysis. The data are explained by a modification of the conduction band alignment induced by inhomogeneous tensile strain in Si around the buried Ge dots.

Strain-induced semimetal-to-semiconductor transition and indirect-to-direct band gap transition in monolayer 1T-TiS2

RSC Advances ◽  
2015 ◽  
Vol 5 (102) ◽  
pp. 83876-83879 ◽  
Author(s):  
Chengyong Xu ◽  
Paul A. Brown ◽  
Kevin L. Shuford
Keyword(s):  
Band Gap ◽  
Electronic Properties ◽  
Plane Strain ◽  
Material Properties ◽  
First Principles ◽  
Tensile Strain ◽  
First Principles Calculations ◽  
Direct Band Gap ◽  
Direct Band ◽  
Uniform Plane

We have investigated the effect of uniform plane strain on the electronic properties of monolayer 1T-TiS2using first-principles calculations. With the appropriate tensile strain, the material properties can be transformed from a semimetal to a direct band gap semiconductor.

scholarly journals Capturing excitonic and polaronic effects in lead iodide perovskites from many-body perturbation theory

2021 ◽  
Author(s):  
Pooja Basera ◽  
Arunima Singh ◽  
Deepika Gill ◽  
Saswata Bhattacharya
Keyword(s):  
Optical Properties ◽  
Perturbation Theory ◽  
Binding Energy ◽  
Electronic Properties ◽  
Effective Mass ◽  
Exciton Binding Energy ◽  
Many Body ◽  
Energy Materials ◽  
Lead Iodide ◽  
Many Body Perturbation Theory

Lead iodide perovskites have attracted considerable interest as promising energy-materials. However, till date, several key electronic properties such as optical properties, effective mass, exciton binding energy and the radiative exciton...

scholarly journals Effect of Point Defects on Electronic Properties and Structure of Talc (001) Surface by First Principles

Minerals ◽  
2022 ◽  
Vol 12 (1) ◽  
pp. 69
Author(s):  
Xindi Ma ◽  
Huicong Du ◽  
Ping Lan ◽  
Jianhua Chen ◽  
Lihong Lan
Keyword(s):  
Electronic Properties ◽  
Density Functional ◽  
Surface States ◽  
State Density ◽  
Functional Theory ◽  
Vacancy Defects ◽  
Impurity Atoms ◽  
Electron State Density ◽  
Calculation Results ◽  
Impurity Defects

The surface structure and electronic properties of Mg vacancy defects on talc (001) and impurity defects with Fe, Mn, Ni, Al, and Ca replacing Mg atoms were calculated by using density functional theory. The calculation results show that the order of impurity substitution energy is Mn < Ni < Al < Ca < Fe. This indicates that Fe impurity defects are most easily formed in talc crystals. The covalent bonding between Si atoms and reactive oxygen atoms adjacent to impurity atoms is weakened and the ionic property is enhanced. The addition of Fe, Mn, and Ni atoms makes the surface of talc change from an insulator to a semiconductor and enhances its electrical conductivity. The analysis of electron state density shows that surface states composed of impurity atoms 4S orbital appear near the Fermi level.

scholarly journals Combustion Synthesis of Non-Precious CuO-CeO2 Nanocrystalline Catalysts with Enhanced Catalytic Activity for Methane Oxidation

Materials ◽  
2019 ◽  
Vol 12 (6) ◽  
pp. 878 ◽  
Author(s):  
Abdallah Zedan ◽  
Amina AlJaber
Keyword(s):  
Solid Solution ◽  
Raman Spectroscopy ◽  
Catalytic Activity ◽  
Electronic Properties ◽  
Combustion Synthesis ◽  
Mixed Oxide ◽  
Oxide Catalysts ◽  
Ch4 Oxidation ◽  
X Ray ◽  
Mixed Oxide Catalysts

In this study, xCuO-CeO2 mixed oxide catalysts (Cu weight ratio x = 1.5, 3, 4.5, 6 and 15 wt.%) were prepared using solution combustion synthesis (SCS) and their catalytic activities towards the methane (CH4) oxidation reaction were studied. The combustion synthesis of the pure CeO2 and the CuO-CeO2 solid solution catalysts was performed using copper and/or cerium nitrate salt as an oxidizer and citric acid as a fuel. A variety of standard techniques, including scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD), thermo-gravimetric analysis (TGA), X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy were employed to reveal the microstructural, crystal, thermal and electronic properties that may affect the performance of CH4 oxidation. The CuO subphase was detected in the prepared solid solution and confirmed with XRD and Raman spectroscopy, as indicated by the XRD peaks at diffraction angles of 35.3° and 38.5° and the Ag Raman mode at 289 cm−1, which are characteristics of tenorite CuO. A profound influence of Cu content was evident, not only affecting the structural and electronic properties of the catalysts, but also the performance of catalysts in the CH4 oxidation. The presence of Cu in the CeO2 lattice obviously promoted its catalytic activity for CH4 catalytic oxidation. Among the prepared catalysts, the 6% CuO-CeO2 catalyst demonstrated the highest performance, with T50 = 502 °C and T80 = 556 °C, an activity that is associated with the availability of a fine porous structure and the enhanced surface area of this catalyst. The results demonstrate that nanocrystalline copper-ceria mixed oxide catalysts could serve as an inexpensive and active material for CH4 combustion.

scholarly journals Unraveling the impact of the Pd nanoparticle@BiVO4/S-CN heterostructure on the photo-physical & opto-electronic properties for enhanced catalytic activity in water splitting and one-pot three-step tandem reaction

2019 ◽  
Vol 1 (4) ◽  
pp. 1395-1412 ◽  
Author(s):  
Subhajyoti Samanta ◽  
Biswarup Satpati ◽  
Rajendra Srivastava
Keyword(s):  
Catalytic Activity ◽  
Electronic Properties ◽  
Water Splitting ◽  
Tandem Reaction ◽  
One Pot ◽  
Pd Nanoparticle ◽  
The Impact

Influence of Pd NPs in the BiVO4/S-CN photocatalyst is demonstrated for the efficient water splitting and imine synthesis via tandem reaction.

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