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Dft Study of Structural and Electronic Properties of Diamond (100) Surface as a Function of Surface Coverage of Atmospheric Functional Groups

https://doi.org/10.2139/ssrn.4683559
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Electronic structures of the oxygenated diamond (100) surfaces
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Surface-acoustics phonon scattering in 2D-hole gas of diamond based FET devices
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Epoxy oxidized diamond (111)-(2 × 1) surface for nitrogen-vacancy based quantum sensors
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Oxidative etching mechanism of the diamond (100) surface
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Nucleation dependence of atomic layer deposition on diamond surface termination
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A reactive molecular dynamics study of the hydrogenation of diamond surfaces
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Tunable electronic properties of diamond (100) surface via boron-nitrogen co-termination: A first-principles study
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Temperature dependence of two-dimensional hole gas on hydrogen-terminated diamond surface
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Enhanced sensitivity of partial O-terminated H-diamond for H2S detection at room temperature
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Surface conductivity of the diamond: A novel transfer doping mechanism
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Surface transfer doping of diamond: A review
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Hydrogen and oxygen mixed-termination for nitrogen-vacancy quantum sensors in hexagonal diamond
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Oxidation of the hydrogenated diamond (100) surface
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Oxidation of heated diamond C(100):H surfaces
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Chapter 2 Structural and electronic properties of diamond surfaces
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Hydrogen-terminated diamond surfaces and interfaces
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Ab initio calculation of electron affinities of diamond surfaces
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Electronic Structure Tunability of Diamonds by Surface Functionalization
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Dual Role of Adsorbent and Non-monotonic Transfer p-Doping of Diamond
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Recent Advances in the Carrier Mobility of Two-Dimensional Materials: A Theoretical Perspective
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A Theoretical Study of the Energetic Stability and Geometry of Hydrogen- and Oxygen-Terminated Diamond (100) Surfaces
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Structural and Electronic Properties of Oxygen-Adsorbed Diamond (100) Surface
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Self-assembled ultrathin nanotubes on diamond (100) surface
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Thermally Stable, High Performance Transfer Doping of Diamond using Transition Metal Oxides
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Durability-enhanced two-dimensional hole gas of C-H diamond surface for complementary power inverter applications
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Resistivity of chemical vapor deposited diamond films
inferredcites →https://doi.org/10.1063/1.5055812openalex-extracted
High-mobility diamond field effect transistor with a monocrystalline h-BN gate dielectric
inferredcites →https://doi.org/10.1063/5.0055292openalex-extracted
Ultrawide bandgap semiconductors
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International Reviews in Physical Chemistry
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Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
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The atomic simulation environment—a Python library for working with atoms
inferredcites →https://doi.org/10.1098/rspa.1964.0025openalex-extracted
Intrinsic edge absorption in diamond
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-extracted
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.25.4338openalex-extracted
New dimerized-chain model for the reconstruction of the diamond (111)-(2 × 1) surface
inferredcites →https://doi.org/10.1103/physrevb.53.7334openalex-extracted
Dimer reconstruction and electronic surface states on clean and hydrogenated diamond (100) surfaces
inferredcites →https://doi.org/10.1103/physrevb.66.155406openalex-extracted
Structural characterization of the hydrogen-covered C(100) surface by density functional theory calculations
inferredcites →https://doi.org/10.1103/physrevb.73.085313openalex-extracted
Structure, electronics, and interaction of hydrogen and oxygen on diamond surfaces
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-extracted
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1109/ted.2020.2989736openalex-extracted
Diamond Field-Effect Transistors With V2O5-Induced Transfer Doping: Scaling to 50-nm Gate Length
inferredcites →https://doi.org/10.1557/s43578-021-00437-6openalex-extracted
Theoretical characterization and computational discovery of ultra-wide-band-gap semiconductors with predictive atomistic calculations
inferredcites →https://doi.org/10.1557/s43580-022-00242-1openalex-extracted
Stability of oxygenated groups on pristine and defective diamond surfaces
inferredcites →https://doi.org/10.2139/ssrn.4552724openalex-extracted
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Comparison of Wide-Bandgap Semiconductors for Power Electronics Applications
inferredcites →https://doi.org/10.3390/c6020022openalex-extracted
The Combined Influence of Dopant Species and Surface Termination on the Electronic Properties of Diamond Surfaces
inferredcites →https://doi.org/10.3390/ijms22073424openalex-extracted
DFT Studies of Selected Epoxies with Mesogenic Units–Impact of Molecular Structure on Electro-Optical Response
inferredcites →https://doi.org/10.3390/ma14051301openalex-extracted
The Effect of Surface Treatment on Structural Properties of CVD Diamond Layers with Different Grain Sizes Studied by Raman Spectroscopy
inferredcites →https://doi.org/10.3390/nano10061193openalex-extracted
Surface States of (100) O-Terminated Diamond: Towards Other 1 × 1:O Reconstruction Models
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