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Related Concept Videos

Reduction of Alkenes: Catalytic Hydrogenation02:13

Reduction of Alkenes: Catalytic Hydrogenation

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.
The hydrogenation process takes place on the surface of...
Heterogeneous Catalysis01:22

Heterogeneous Catalysis

Heterogeneous catalysis involves a catalyst in a different phase from the reactants. It is a process where the catalyst and the reactants are in distinct phases, typically solid and gas or liquid.Most heterogeneous catalysts are metals, metal oxides, or acids. The list includes transition metals like iron (Fe), cobalt (Co), nickel (Ni), palladium (Pd), platinum (Pt), chromium (Cr), manganese (Mn), tungsten (W), silver (Ag), and copper (Cu). These metals possess partially vacant d orbitals that...
Hydrogen Bonds01:04

Hydrogen Bonds

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...
Hydrogen Bonds00:26

Hydrogen Bonds

Hydrogen BondsHydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.Hydrogen Bonds Control the World!Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are...
Catalysis02:50

Catalysis

The presence of a catalyst affects the rate of a chemical reaction. A catalyst is a substance that can increase the reaction rate without being consumed during the process. A basic comprehension of a catalysts’ role during chemical reactions can be understood from the concept of reaction mechanisms and energy diagrams.
Catalysis01:27

Catalysis

Catalysis influences the rate of chemical reactions by providing an alternative reaction pathway with lower activation energy. A catalyst speeds up a reaction, but it is not consumed during the process. The fundamental principle of catalysis is the ability of a catalyst to alter the reaction mechanism, often introducing a more efficient pathway than the uncatalyzed process.In a catalyzed reaction, the catalyst participates directly in the reaction mechanism. It interacts with reactants to form...

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Updated: Jun 20, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Interfacial Charge Transfer Directing Intermolecular Hydrogen Transfer for On-Surface C-H Activation.

Rujia Hou1, Yuhong Gao1, Lei Xu1

  • 1Interdisciplinary Materials Research Center, School of Materials Science and Engineering, Tongji University, Shanghai 201804, People's Republic of China.

Journal of the American Chemical Society
|June 19, 2026
PubMed
Summary
This summary is machine-generated.

We developed a new hydrogen-atom transfer (HAT) strategy for on-surface carbon-hydrogen (C-H) activation. This method uses interfacial charge transfer to control reactivity, enabling selective C-H bond breaking in surface chemistry.

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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

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Microscopic Visualization of Porous Nanographenes Synthesized through a Combination of Solution and On-Surface Chemistry
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Microscopic Visualization of Porous Nanographenes Synthesized through a Combination of Solution and On-Surface Chemistry

Published on: March 4, 2021

Area of Science:

  • Surface chemistry
  • Catalysis
  • Materials science

Background:

  • Interfacial charge transfer is crucial for catalytic and device performance.
  • Exploiting charge transfer for on-surface synthesis reaction design is underdeveloped.
  • Current on-surface C-H activation methods lack selectivity and efficiency.

Purpose of the Study:

  • To introduce a novel strategy for on-surface C-H activation.
  • To demonstrate the role of interfacial charge transfer in directing reactivity.
  • To establish a rational design principle for surface chemistry.

Main Methods:

  • Developed a bimolecular hydrogen-atom transfer (HAT) strategy.
  • Introduced well-defined "hydrogen-acceptor" molecules.
  • Utilized interfacial charge transfer to direct molecular reactivity.

Main Results:

  • Achieved controllable intermolecular HAT-driven C-H activation.
  • Demonstrated selective C-H bond activation on surfaces.
  • Established a charge-transfer-mediated activation mechanism.

Conclusions:

  • Interfacial charge transfer can be exploited to design reaction pathways in on-surface synthesis.
  • The HAT strategy offers a selective and efficient approach to C-H activation.
  • This work provides a new principle for designing surface chemistry via charge transfer.