ترغب بنشر مسار تعليمي؟ اضغط هنا

Subsurface Carbon-Induced Local Charge of Copper for On-Surface Displacement Reaction

279   0   0.0 ( 0 )
 نشر من قبل Andre Gourdon
 تاريخ النشر 2021
  مجال البحث فيزياء
والبحث باللغة English




اسأل ChatGPT حول البحث

Transition metal carbides have sparked unprecedented enthusiasm as high-performance catalysts in recent years. Still, the catalytic properties of copper (Cu) carbide remain unexplored. By introducing subsurface carbon (C) to Cu(111), displacement reaction of proton in carboxyl acid group with single Cu atom is demonstrated at the atomic scale and room temperature. Its occurrence is attributed to the C-doping induced local charge of surface Cu atoms (up to +0.30 e/atom), which accelerates the rate of on-surface deprotonation via reduction of the corresponding energy barrier, thus enabling the instant displacement of a proton with a Cu atom when the molecules land on the surface. Such well-defined and robust Cu$^{delta +}$ surface based on the subsurface C doping offers a novel catalytic platform for on-surface synthesis.



قيم البحث

اقرأ أيضاً

We present that surface two-plasmon resonance (STPR) in electron plasma sheet produced by femtosecond laser irradiating metal surface is the self-formation mechanism of periodic subwavelength ripple structures. Peaks of overdense electrons formed by resonant two-plasmon wave pull bound ions out of the metal surface and thus the wave pattern of STPR is carved on the surface by Coulomb ablation (removal) resulting from the strong electrostatic field induced by charge separation. To confirm the STPR model, we have performed analogical carving experiments by two laser beams with perpendicular polarizations. The results explicitly show that two wave patterns of STPR are independently carved on the exposure area of target surface. The time-scale of ablation dynamics and the electron temperature in ultrafast interaction are also verified by time-resolved spectroscopy experiment and numerical simulation, respectively. The present model can self-consistently explain the formation of subwavelength ripple structures even with spatial periods shorter than half of the laser wavelength, shedding light on the understanding of ultrafast laser-solid interaction.
We demonstrate current-induced displacement of ferromagnetic domain walls in sub-micrometer fabricated patterns of SrRuO3 films. The displacement, monitored by measuring the extraordinary Hall effect, is induced at zero applied magnetic field and its direction is reversed when the current is reversed. We find that current density in the range of 10^9 - 10^10 A/m^2 is sufficient for domain-wall displacement when the depinning field varies between 50 to 500 Oe. These results indicate relatively high efficiency of the current in displacing domain walls which we believe is related to the narrow width ~3 nm of domain walls in this compound.
A widely used approximation to the exchange-correlation functional in density functional theory is the local density approximation (LDA), typically derived from the properties of the homogeneous electron gas (HEG). We previously introduced a set of a lternative LDAs constructed from one-dimensional systems of one, two, and three electrons that resemble the HEG within a finite region. We now construct a HEG-based LDA appropriate for spinless electrons in one dimension and find that it is remarkably similar to the finite LDAs. As expected, all LDAs are inadequate in low-density systems where correlation is strong. However, exploring the small but significant differences between the functionals, we find that the finite LDAs give better densities and energies in high-density exchange-dominated systems, arising partly from a better description of the self-interaction correction.
Boron forms compounds with nearly all metals, with notable exception of copper and other group IB and IIB elements. Here, we report an unexpected discovery of ordered copper boride grown epitaxially on Cu(111) under ultrahigh vacuum. Scanning tunneli ng microscopy experiments combined with ab initio evolutionary structure prediction reveal a remarkably complex structure of 2D-Cu8B14. Strong intra-layer p-d hybridization and a large amount of charge transfer between Cu and B atoms are the key factors for the emergence of copper boride. This makes the discovered material unique and opens up the possibility of synthesizing ordered low-dimensional structures in similar immiscible systems.
We report on a many-electron wavefunction theory study for the reaction energetics of hydrogen dissociation on the Si(100) surface. We demonstrate that quantum chemical wavefunction based methods using periodic boundary conditions can predict chemica lly accurate results for the activation barrier and the chemisorption energy in agreement with experimental findings. These highly accurate results for the reaction energetics enable a deeper understanding of the underlying physical mechanism and make it possible to benchmark widely used density functional theory methods.
التعليقات
جاري جلب التعليقات جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
mircosoft-partner

هل ترغب بارسال اشعارات عن اخر التحديثات في شمرا-اكاديميا