Screening strain sensitive transition metals using oxygen adsorption

2022 ◽  
Author(s):  
Yucheng He ◽  
Pengqi Hai ◽  
Chao Wu
Keyword(s):  
Transition Metals ◽  
Lattice Mismatch ◽  
Oxygen Adsorption

Nanocatalysts, due to their small size and/or lattice mismatch among hetero components, are born with strain. During reaction, adsorbates alongside strain may cause the catalyst’s surface to reorganize, which can...

OXYGEN ADSORPTION RELATED TO THE UNPAIRED d-ELECTRONS IN TRANSITION METALS

1963 ◽  
Vol 67 (11) ◽  
pp. 2508-2509 ◽  
Author(s):  
M. L. B. Rao ◽  
A. Damjanovic ◽  
J. O'M. Bockris
Keyword(s):  
Transition Metals ◽  
Oxygen Adsorption

scholarly journals Oxygen Reduction Reaction Catalyzed by Pt3M (M = 3d Transition Metals) Supported on O-doped Graphene

Catalysts ◽  
2020 ◽  
Vol 10 (2) ◽  
pp. 156
Author(s):  
Chaonan Cui ◽  
Mengnan Sun ◽  
Xinli Zhu ◽  
Jinyu Han ◽  
Hua Wang ◽  
...  
Keyword(s):  
Transition Metals ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Adsorption Energy ◽  
Density Functional ◽  
Energy Difference ◽  
Oxygen Adsorption ◽  
Reduction Reaction ◽  
Computational Method ◽  
Doped Graphene

Pt3M (M = 3d transition metals) supported on oxygen-doped graphene as an electrocatalyst for oxygen reduction was investigated using the periodic density functional theory-based computational method. The results show that oxygen prefers to adsorb on supported Pt3M in a bridging di-oxygen configuration. Upon reduction, the O–O bond breaks spontaneously and the oxygen adatom next to the metal–graphene interface is hydrogenated, resulting in co-adsorbed O* and OH* species. Water formation was found to be the potential-limiting step on all catalysts. The activity for the oxygen reduction reaction was evaluated against the difference of the oxygen adsorption energy on the Pt site and the M site of Pt3M and the results indicate that the oxygen adsorption energy difference offers an improved prediction of the oxygen reduction activity on these catalysts. Based on the analysis, Pt3Ni supported on oxygen-doped graphene exhibits an enhanced catalytic performance for oxygen reduction over Pt4.

Chemical partitioning of elements in Ni-base MC-carbide reinforced eutetic superalloys

1983 ◽  
Vol 41 ◽  
pp. 250-251
Author(s):  
E. F. Koch ◽  
E. L. Hall ◽  
S. W. Yang
Keyword(s):  
Alloy Composition ◽  
Volume Fraction ◽  
Lattice Mismatch ◽  
Turbine Blades ◽  
Eutectic Alloys ◽  
Alloy Matrix ◽  
X Ray ◽  
Gas Turbine Blades ◽  
Analytical Electron ◽  
Analytical Electron Microscope

The plane-front solidified eutectic alloys consisting of aligned tantalum monocarbide fibers in a nickel alloy matrix are currently under consideration for future aircraft and gas turbine blades. The MC fibers provide exceptional strength at high temperatures. In these alloys, the Ni matrix is strengthened by the precipitation of the coherent γ' phase (ordered L12 structure, nominally Ni3Al). The mechanical strength of these materials can be sensitively affected by overall alloy composition, and these strength variations can be due to several factors, including changes in solid solution strength of the γ matrix, changes in they γ' size or morphology, changes in the γ-γ' lattice mismatch or interfacial energy, or changes in the MC morphology, volume fraction, thermal stability, and stoichiometry. In order to differentiate between these various mechanisms, it is necessary to determine the partitioning of elemental additions between the γ,γ', and MC phases. This paper describes the results of such a study using energy dispersive X-ray spectroscopy in the analytical electron microscope.

Coherency loss in γ' precipitates in nickel-base superalloy

1983 ◽  
Vol 41 ◽  
pp. 244-245
Author(s):  
R. A. Ricks ◽  
Angus J. Porter
Keyword(s):  
Lattice Mismatch ◽  
Lattice Parameter ◽  
Nickel Base Superalloy ◽  
Large Size ◽  
The Matrix ◽  
Nimonic 80A ◽  
Interfacial Dislocations ◽  
Nickel Base ◽  
Coherency Loss ◽  
Nimonic 115

During a recent investigation concerning the growth of γ' precipitates in nickel-base superalloys it was observed that the sign of the lattice mismatch between the coherent particles and the matrix (γ) was important in determining the ease with which matrix dislocations could be incorporated into the interface to relieve coherency strains. Thus alloys with a negative misfit (ie. the γ' lattice parameter was smaller than the matrix) could lose coherency easily and γ/γ' interfaces would exhibit regularly spaced networks of dislocations, as shown in figure 1 for the case of Nimonic 115 (misfit = -0.15%). In contrast, γ' particles in alloys with a positive misfit could grow to a large size and not show any such dislocation arrangements in the interface, thus indicating that coherency had not been lost. Figure 2 depicts a large γ' precipitate in Nimonic 80A (misfit = +0.32%) showing few interfacial dislocations.

Transmission Electron Microscopy studies of the vacancy ordering in YSI2-X thin films

1991 ◽  
Vol 49 ◽  
pp. 562-563
Author(s):  
F.-R. Chen ◽  
T. L. Lee ◽  
L. J. Chen
Keyword(s):  
Crystal Structure ◽  
Electron Microscopy ◽  
Thin Films ◽  
Diffraction Pattern ◽  
Annealing Temperature ◽  
Lattice Mismatch ◽  
Si Substrate ◽  
Metal Thin Films ◽  
Transmission Electron ◽  
Vacancy Ordering

YSi2-x thin films were grown by depositing the yttrium metal thin films on (111)Si substrate followed by a rapid thermal annealing (RTA) at 450 to 1100°C. The x value of the YSi2-x films ranges from 0 to 0.3. The (0001) plane of the YSi2-x films have an ideal zero lattice mismatch relative to (111)Si surface lattice. The YSi2 has the hexagonal AlB2 crystal structure. The orientation relationship with Si was determined from the diffraction pattern shown in figure 1(a) to be and . The diffraction pattern in figure 1(a) was taken from a specimen annealed at 500°C for 15 second. As the annealing temperature was increased to 600°C, superlattice diffraction spots appear at position as seen in figure 1(b) which may be due to vacancy ordering in the YSi2-x films. The ordered vacancies in YSi2-x form a mesh in Si plane suggested by a LEED experiment.

Precipitation in silicon: Microanalysis

1988 ◽  
Vol 46 ◽  
pp. 474-475
Author(s):  
R.W. Carpenter
Keyword(s):  
Transition Metals ◽  
Spatial Resolution ◽  
Thin Foil ◽  
Precipitation Reaction ◽  
High Current ◽  
Reaction Products ◽  
Carbon And Nitrogen ◽  
Dielectric Layers ◽  
Precipitation Processes ◽  
Areas Of Interest

Interest in precipitation processes in silicon appears to be centered on transition metals (for intrinsic and extrinsic gettering), and oxygen and carbon in thermally aged materials, and on oxygen, carbon, and nitrogen in ion implanted materials to form buried dielectric layers. A steadily increasing number of applications of microanalysis to these problems are appearing. but still far less than the number of imaging/diffraction investigations. Microanalysis applications appear to be paced by instrumentation development. The precipitation reaction products are small and the presence of carbon is often an important consideration. Small high current probes are important and cryogenic specimen holders are required for consistent suppression of contamination buildup on specimen areas of interest. Focussed probes useful for microanalysis should be in the range of 0.1 to 1nA, and estimates of spatial resolution to be expected for thin foil specimens can be made from the curves shown in Fig. 1.

Defects in β-SiC thin films grown on α-SiC substrates

1988 ◽  
Vol 46 ◽  
pp. 568-569
Author(s):  
Karren L. More
Keyword(s):  
Thin Films ◽  
Semiconductor Device ◽  
Lattice Mismatch ◽  
Chemical Vapor ◽  
Substrate Material ◽  
Growth Interface ◽  
Si Substrates ◽  
Thermal Expansion Coefficients ◽  
Device Applications ◽  
Expansion Coefficients

Beta-SiC is an ideal candidate material for use in semiconductor device applications. Currently, monocrystalline β-SiC thin films are epitaxially grown on {100} Si substrates by chemical vapor deposition (CVD). These films, however, contain a high density of defects such as stacking faults, microtwins, and antiphase boundaries (APBs) as a result of the 20% lattice mismatch across the growth interface and an 8% difference in thermal expansion coefficients between Si and SiC. An ideal substrate material for the growth of β-SiC is α-SiC. Unfortunately, high purity, bulk α-SiC single crystals are very difficult to grow. The major source of SiC suitable for use as a substrate material is the random growth of {0001} 6H α-SiC crystals in an Acheson furnace used to make SiC grit for abrasive applications. To prepare clean, atomically smooth surfaces, the substrates are oxidized at 1473 K in flowing 02 for 1.5 h which removes ∽50 nm of the as-grown surface. The natural {0001} surface can terminate as either a Si (0001) layer or as a C (0001) layer.

Influence of MBE Growth Conditions on Dislocation Densities of GaAs/Ge Epilayers Grown on Silicon Substrates

1985 ◽  
Vol 43 ◽  
pp. 364-365
Author(s):  
K.M. Hones ◽  
P. Sheldon ◽  
B.G. Yacobi ◽  
A. Mason
Keyword(s):  
High Efficiency ◽  
Lattice Mismatch ◽  
Low Cost ◽  
Growth Conditions ◽  
Nonradiative Recombination ◽  
Device Structure ◽  
Si Substrates ◽  
Transmission Electron ◽  
Dislocation Densities ◽  
Dislocation Type

There is increasing interest in growing epitaxial GaAs on Si substrates. Such a device structure would allow low-cost substrates to be used for high-efficiency cascade- junction solar cells. However, high-defect densities may result from the large lattice mismatch (∼4%) between the GaAs epilayer and the silicon substrate. These defects can act as nonradiative recombination centers that can degrade the optical and electrical properties of the epitaxially grown GaAs. For this reason, it is important to optimize epilayer growth conditions in order to minimize resulting dislocation densities. The purpose of this paper is to provide an indication of the quality of the epitaxially grown GaAs layers by using transmission electron microscopy (TEM) to examine dislocation type and density as a function of various growth conditions. In this study an intermediate Ge layer was used to avoid nucleation difficulties observed for GaAs growth directly on Si substrates. GaAs/Ge epilayers were grown by molecular beam epitaxy (MBE) on Si substrates in a manner similar to that described previously.

TEM study of Cosi2 formation via annealing of Co-Ti bilayers on Si

1995 ◽  
Vol 53 ◽  
pp. 464-465
Author(s):  
N. David Theodore ◽  
Andre Vantomme ◽  
Peter Crazier
Keyword(s):  
Thermal Instability ◽  
Lattice Mismatch ◽  
Field Effect Transistors ◽  
Contact Layer ◽  
Interface Roughness ◽  
Oxide Semiconductor ◽  
Surface Layers ◽  
Silicide Layer ◽  
Small Lattice ◽  
Buried Layers

Contact is typically made to source/drain regions of metal-oxide-semiconductor field-effect transistors (MOSFETs) by use of TiSi2 or CoSi2 layers followed by AI(Cu) metal lines. A silicide layer is used to reduce contact resistance. TiSi2 or CoSi2 are chosen for the contact layer because these silicides have low resistivities (~12-15 μΩ-cm for TiSi2 in the C54 phase, and ~10-15 μΩ-cm for CoSi2). CoSi2 has other desirable properties, such as being thermally stable up to >1000°C for surface layers and >1100°C for buried layers, and having a small lattice mismatch with silicon, -1.2% at room temperature. During CoSi2 growth, Co is the diffusing species. Electrode shorts and voids which can arise if Si is the diffusing species are therefore avoided. However, problems can arise due to silicide-Si interface roughness (leading to nonuniformity in film resistance) and thermal instability of the resistance upon further high temperature annealing. These problems can be avoided if the CoSi2 can be grown epitaxially on silicon.

Structural analysis of a Σ5 grain boundary in YBa2Cu3O7δ

1993 ◽  
Vol 51 ◽  
pp. 942-943
Author(s):  
J.-Y. Wang ◽  
Y. Zhu ◽  
A.H. King ◽  
M. Suenaga
Keyword(s):  
Grain Boundary ◽  
Lattice Mismatch ◽  
Weak Link ◽  
Coincidence Site Lattice ◽  
Large Angle ◽  
Dislocation Core ◽  
Superconducting Order Parameter ◽  
Outstanding Problem ◽  
Transmission Electron

One outstanding problem in YBa2Cu3O7−δ superconductors is the weak link behavior of grain boundaries, especially boundaries with a large-angle misorientation. Increasing evidence shows that lattice mismatch at the boundaries contributes to variations in oxygen and cation concentrations at the boundaries, while the strain field surrounding a dislocation core at the boundary suppresses the superconducting order parameter. Thus, understanding the structure of the grain boundary and the grain boundary dislocations (which describe the topology of the boundary) is essential in elucidating the superconducting characteristics of boundaries. Here, we discuss our study of the structure of a Σ5 grain boundary by transmission electron microscopy. The characterization of the structure of the boundary was based on the coincidence site lattice (CSL) model.Fig.l shows two-beam images of the grain boundary near the projection. An array of grain boundary dislocations, with spacings of about 30nm, is clearly visible in Fig. 1(a), but invisible in Fig. 1(b).

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