相关论文: Steering alkyne homocoupling with on-surface synth…
We study the effects of generalised surface disorder on the monomer-monomer model of heterogeneous catalysis, where disorder is implemented by allowing different adsorption rates for each lattice site. By mapping the system in the…
The role of a simple surface defect, such as a step, for relaxing the stress applied to a semiconductor, has been investigated by means of large scale first principles calculations. Our results indicate that the step is the privileged site…
Understanding solid-liquid interfaces at the atomic-scale is key to improved performance of heterogeneous catalysts, electrodes and membranes. Here we combine unique specimen design, record atomic resolution in situ electron microscopy, and…
Reducing the formation temperature of single-phase multioxides is one of the classic challenges in ceramic processing, including wet-chemical synthesis routes. Toward pursuing this aim for diopside (MgCaSi2O6), the merit of different…
Catalysis, the acceleration of chemical reactions by molecules that are not consumed in the process, is essential to living organisms but currently absent in physical systems that aspire to emulate biological functionalities with artificial…
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),…
Patchy colloids are promising candidates for building blocks in directed self-assembly. To be successful the surface patterns need to both be simple enough to be synthesized, while feature-rich enough to cause the colloids to self-assemble…
We study the kinetics of the isotropic-smectic phase transition in a colloidal rod/polymer mixture by visualizing individual smectic layers. First, we show that the bulk isotropic-smectic phase transition is preceded by a surface freezing…
Syntheto is a surface language for carrying out formally verified program synthesis by transformational refinement in ACL2 using the APT toolkit. Syntheto aims at providing more familiarity and automation, in order to make this technology…
The illumination of catalytic surfaces with a continuous or pulsed stream of photons dynamically modulates surface chemistry for faster rates, higher conversion, or product selectivity control. To establish fundamental principles of dynamic…
Two simple (rotator and one-particle) mechanistic models are suggested to describe simultaneously at a minimal level of sophistication two basic functions of F$_1$-ATPase: a motor regime driven by ATP hydrolysis and its inverted function as…
The calculation of expected spectral line strengths and profiles is a powerful tool for the analysis of the solar atmosphere, and other stellar atmospheres. We present here a recipe in seven easy steps for the development of such spectral…
Acoustic-directed assembly is a modular and flexible bottom-up technique with the potential to pattern a wide range of materials. Standing acoustic waves have been previously employed for patterning preformed metal particles, however,…
We report a simple one pot process for the preparation of lead sulphide (PbS) nanocrystals in the conjugated polymer MEH-PPV, and we demonstrate electronic coupling between the two components.
Experimental results on the formation of molecular hydrogen on amorphous silicate surfaces are presented for the first time and analyzed using a rate equation model. The energy barriers for the relevant diffusion and desorption processes…
Crystallization often proceeds through successive stages that lead to a gradual increase in organization. Using molecular simulation, we determine the nucleation pathway for solid solutions of copper and gold. We identify a new nucleation…
High-entropy alloys (HEAs), containing several metallic elements in near-equimolar proportions, have long been of interest for their unique mechanical properties. More recently, they have emerged as a promising platform for the development…
Nanocrystalline bulk materials are desirable for many applications as they combine mechanical strength and specific electronic transport properties. Our bottom up approach starts with tailored nanoparticles. Compaction and thermal treatment…
Lubrication forces depend to a high degree on elasticity, texture, charge, chemistry, and temperature of the interacting surfaces. Therefore, by appropriately designing surface properties, we may tailor lubrication forces to reduce…
Engineering strain critically affects the properties of materials and has extensive applications in semiconductors and quantum systems. However, the deployment of strain-engineered nanocatalysts faces challenges, particularly in maintaining…