Abstract The direct synthesis of H 2 O from molecular and over AuPd catalysts, supported on TiO prepared via an excess chloride co-impregnation procedure is investigated. role Au:Pd ratio the catalytic activity towards formation its subsequent degradation evaluated under conditions that have previously been found to be optimal for . combination relatively small nanoparticles, mixed Pd-oxidation...

The energetics, structures and segregation of 98-atom AuPd nanoclusters are investigated using a genetic algorithm global optimization technique with the Gupta empirical potential (comparing three different potential parameterisations) followed by local minimizations using Density Functional Theory (DFT) calculations. A shell optimization program algorithm is employed in order to study the ener...

Predicting and characterizing the crystal structure of materials is a key problem in materials research and development. We report the results of ab initio LDA/GGA computations for the following systems: AgAu, AgCd, AgMg, AgMo∗, AgNa, AgNb∗, AgPd, AgRh∗, AgRu∗, AgTc∗, AgTi, AgY, AgZr, AlSc, AuCd, AuMo∗, AuNb, AuPd, AuPt∗, AuRh∗, AuRu∗, AuSc, AuTc∗, AuTi, AuY, AuZr, CdMo∗, CdNb∗, CdPd, CdPt, CdR...

Nanoscale wires on the order of 10 nm thick, formed from or patterned on DNA are presented here. Uncoated DNA wires from 4 nm thick and continuously metal-clad DNA wires from 10 nm thick are observed. These wires are produced by deposition of either single or double stranded DNA across a trench in a SiN substrate produced through chemical etching or focused ion beam techniques. Some of these wi...

Electron-beam deposition is used to fabricate free-standing carbon nanoelectrodes separated by a gap of less than 5 nm. Fabrication is carried out under direct visual control in an electron microscope. After coating the carbon electrodes with a thin metal film ~e.g., AuPd! such structures can be used to study electrical transport properties of single molecules ~e.g., conjugated polymers! or met...

Au-based catalysts are widely used in important processes because of their peculiar characteristics. The catalyst performance depends strongly on the nature and structure of the metal nanoparticles, especially in the case of bimetallic catalysts where synergistic effects between the two metals can be occasionally seen. In this paper, it is shown that electrochemical characterisation (cyclovolta...