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Related Concept Videos

Hydrogen Bonds01:04

Hydrogen Bonds

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A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
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Hybridization of Atomic Orbitals II03:35

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sp3d and sp3d 2 Hybridization
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Reduction of Alkenes: Catalytic Hydrogenation02:13

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Alkenes undergo reduction by the addition of molecular hydrogen to give alkanes. Because the process generally occurs in the presence of a transition-metal catalyst, the reaction is called catalytic hydrogenation.
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
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Reduction of Alkenes: Asymmetric Catalytic Hydrogenation02:17

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Catalytic hydrogenation of alkenes is a transition-metal catalyzed reduction of the double bond using molecular hydrogen to give alkanes. The mode of hydrogen addition follows syn stereochemistry.
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¹H NMR of Labile Protons: Deuterium (²H) Substitution00:48

¹H NMR of Labile Protons: Deuterium (²H) Substitution

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This lesson illustrates the role of deuterium substitution in simplifying the NMR spectrum of compounds comprising labile protons. One method employed is the use of deuterium. Amongst the three isotopes of hydrogen, deuterium (2H) has a nucleus composed of one proton and one neutron. When the D2O solvent is added to a pure dry ethanol solution, its labile proton is substituted with deuterium.
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Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

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The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
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Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis
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Heteroatom Functionalization of H-Terminated Diamond Surfaces.

Chenxi Li1, Eliezer F Oliveira2, Abhijit Biswas1

  • 1Department of Materials Science and Nanoengineering, Rice University, Houston, Texas 77005, United States.

ACS Applied Materials & Interfaces
|August 9, 2023
PubMed
Summary

Functionalizing diamond surfaces with nitrogen and sulfur heteroatoms enhances electrical conductivity. This research explores novel chemical approaches for improved diamond semiconductor applications.

Keywords:
Band StructureDensity Functional TheoryDiamondElectronic PropertiesSurface Functionalization

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Area of Science:

  • Materials Science
  • Surface Chemistry
  • Semiconductor Engineering

Background:

  • Diamond surface functionalization, particularly H-termination, is crucial for negative electron affinity and hole carrier injection.
  • Engineering diamond as a semiconductor requires exploring diverse functional groups and their electronic impact.

Purpose of the Study:

  • To functionalize H-terminated diamond surfaces with nitrogen and sulfur heteroatoms.
  • To investigate the impact of these heteroatoms on diamond's electronic structure and conductivity.
  • To explore co-functionalization strategies for enhanced efficiency.

Main Methods:

  • Wet and dry chemical approaches for surface functionalization.
  • Surface characterization techniques to confirm covalent bonding and distribution of functional groups.
  • Electrical measurements to assess conductivity changes.
  • Density Functional Theory (DFT) calculations to analyze electronic structure modifications.

Main Results:

  • Nitrogen and sulfur heteroatoms were successfully and covalently bonded to the diamond surface.
  • Identified four sulfur-containing groups (-SH, -S-S-, -S-O, -S=O) and two nitrogen-containing groups (-NH2, =NH).
  • Co-functionalization (N-S) demonstrated improved amination efficiency.
  • Heteroatom-modified surfaces showed higher electrical conductivity compared to H-terminated diamond.
  • DFT revealed downshifted conduction and valence band edges, reducing the bandgap.

Conclusions:

  • Nitrogen and sulfur heteroatom functionalization effectively enhances diamond surface electrical conductivity.
  • These modifications offer a pathway for engineering diamond-based semiconductors for electronic applications.
  • The study highlights the potential of tailored heteroatom incorporation for advanced diamond electronics.