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First-principles calculations for point defects in solids
Point defects and impurities strongly affect the physical properties of materials and have a
decisive impact on their performance in applications. First-principles calculations have …
decisive impact on their performance in applications. First-principles calculations have …
Heterogeneous catalytic hydrogenation of CO 2 by metal oxides: defect engineering–perfecting imperfection
Metal oxides with their myriad compositions, structures and bonding exhibit an incredibly
diverse range of properties. It is however the defects in metal oxides that endow them with a …
diverse range of properties. It is however the defects in metal oxides that endow them with a …
Tutorial: Defects in semiconductors—Combining experiment and theory
Point defects affect or even completely determine physical and chemical properties of
semiconductors. Characterization of point defects based on experimental techniques alone …
semiconductors. Characterization of point defects based on experimental techniques alone …
Defect scattering can lead to enhanced phonon transport at nanoscale
Defect scattering is well known to suppress thermal transport. In this study, however, we
perform both molecular dynamics and Boltzmann transport equation calculations, to …
perform both molecular dynamics and Boltzmann transport equation calculations, to …
Defect identification in semiconductors with positron annihilation:<? format?> Experiment and theory
Positron annihilation spectroscopy is particularly suitable for studying vacancy-type
defects<? format?> in semiconductors. Combining state-of-the-art experimental and …
defects<? format?> in semiconductors. Combining state-of-the-art experimental and …
First-principles theory of nonradiative carrier capture via multiphonon emission
We develop a practical first-principles methodology to determine nonradiative carrier
capture coefficients at defects in semiconductors. We consider transitions that occur via …
capture coefficients at defects in semiconductors. We consider transitions that occur via …
The paradigm shift in understanding the bias temperature instability: From reaction–diffusion to switching oxide traps
One of the most important degradation modes in CMOS technologies, the bias temperature
instability (BTI) has been known since the 1960s. Already in early interpretations, charge …
instability (BTI) has been known since the 1960s. Already in early interpretations, charge …
Transparent conducting materials discovery using high-throughput computing
Transparent conducting materials (TCMs) are required in many applications from solar cells
to transparent electronics. Develo** high performance materials combining the …
to transparent electronics. Develo** high performance materials combining the …
Identification of oxide defects in semiconductor devices: A systematic approach linking DFT to rate equations and experimental evidence
It is well-established that oxide defects adversely affect functionality and reliability of a wide
range of microelectronic devices. In semiconductor-insulator systems, insulator defects can …
range of microelectronic devices. In semiconductor-insulator systems, insulator defects can …
[كتاب][B] Dopants and defects in semiconductors
MD McCluskey, EE Haller - 2018 - books.google.com
Praise for the First Edition" The book goes beyond the usual textbook in that it provides more
specific examples of real-world defect physics... an easy reading, broad introductory …
specific examples of real-world defect physics... an easy reading, broad introductory …