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A long-standing puzzle for methanol electrooxidation is how to achieve a CO-free pathway and accurately understand the origin of electrocatalytic selectivity. Herein, we unequivocally demonstrate that the Bi-modified Pt/C follows a CO-free…

TMDs are a new family of 2D materials with features that make them appealing for potential applications in nanomaterials science and engineering. Although, the edges of the 2D TMDs show excellent electrocatalytic performance, their basal…

Materials Science · Physics 2022-09-20 Shrish Nath Upadhyay , Srimanta Pakhira

Atom probe tomography is frequently employed to characterize the elemental distribution in solids with atomic resolution. Here we review and discuss the potential of this technique to locally probe chemical bonds. Two processes characterize…

Field evaporation in atom probe tomography (APT) includes known processes related to surface migration of atoms, such as the so-called roll-up mechanism. They lead to trajectory aberrations and artefacts on the detector. These processes are…

Materials Science · Physics 2026-02-03 Aslam Shaikh , Tero Mäkinen , François Vurpillot , Mikko Alava , Ivan Lomakin

Pd-based anodes for alcohol oxidation suffer from surface poisoning and sluggish kinetics. Here, we developed Pd-Nb2O5/C nanocomposites to improve ethanol electrooxidation kinetics and CO tolerance in alkaline media. Orthorhombic Nb2O5…

We perform a quantitative analysis of the nuclear modification factor in deuteron--gold collisions R(dAu) within the Color Glass Condensate approach, and compare our results with the recent data from RHIC experiments. Our model leads to…

High Energy Physics - Phenomenology · Physics 2011-01-25 Dmitri Kharzeev , Yuri V. Kovchegov , Kirill Tuchin

The local environment of metal-oxide supported single-atom catalysts plays a decisive role in the surface reactivity and related catalytic properties. The study of such systems is complicated by the presence of point defects on the surface,…

Tailored Pt nanoparticle catalysts are promising candidates to accelerate the oxygen reduction reaction (ORR) in fuel cells. However, the search for active nanoparticle catalysts is hindered by laborious effort of experimental synthesis and…

Chemical Physics · Physics 2018-07-27 Marlon Rueck , Aliaksandr Bandarenka , Federico Calle-Vallejo , Alessio Gagliardi

A new dual plasma coating process to produce platinum-free catalysts for the oxygen reduction reaction in a fuel cell is introduced. The catalysts thus produced were analysed with various methods. Electrochemical characterisation was…

Si-anodes have long been candidates thanks to an expected ten-fold increase in capacity compared to graphite. However, details of the mechanisms governing their degradation remain elusive, hindering science-guided development of long-lived…

The kinetics of a 2A + B2 = 2AB reaction on supported metal catalyst with spillover effects is investigated using Dynamic Monte Carlo simulations. In the presented model A particles can adsorb reversibly on both metal clusters and the…

Chemical Physics · Physics 2007-05-23 Lukasz Cwiklik , Barbara Jagoda-Cwiklik , Marek Frankowicz

Through its capability for 3D mapping of Li at the nanoscale, atom probe tomography (APT) is poised to play a key role in understanding the microstructural degradation of lithium-ion batteries (LIB) during successive charge and discharge…

Materials Science · Physics 2023-09-15 Mahander P Singh , Eric V Woods , Se Ho Kim , Chanwon Jung , Leonardo S. Aota , Baptiste Gault

Ammonium tetrathiomolybdate (ATM) spontaneously self assembles on Au electrodes forming a hydrophilic, air stable, pH (3-11) tolerant multilayer that is stable over a reasonably large potential window. The ATM functionalized Au electrodes…

Materials Science · Physics 2014-09-11 Sudipta Chatterjee , Kushal Sengupta , Abhishek Dey

The folding and structure of biomacromolecules depend on the 3D distributions of their constituents, which ultimately controls their functionalities and interactions with other biomacromolecules. Atom probe tomography (APT) with its…

The catalytic performance of multimetallic electrodes is often attributed to a beneficial combination of ligand, strain, and ensemble effects. Understanding the influence of the electrochemical environment on the stability of the alloy…

Chemical Physics · Physics 2021-12-08 Stephen E. Weitzner , Ismaila Dabo

Approximate semi-local density functional theory (DFT) is known to underestimate surface formation energies yet paradoxically overbind adsorbates on catalytic transition-metal oxide surfaces due to delocalization error. The low-cost DFT+U…

Materials Science · Physics 2021-11-24 Akash Bajaj , Heather J. Kulik

Energy- and resource-efficient electrocatalytic water splitting is of paramount importance to enable sustainable hydrogen production. The best bulk catalyst for the hydrogen evolution reaction (HER), i.e., platinum, is one of the scarcest…

The exploration of advanced CO-free catalysts and clarifying the ambiguous kinetic origins and governing factors would undoubtedly open up opportunities to overcome the sluggish kinetics of methanol electrooxidation and promote the…

Chemical Physics · Physics 2025-12-15 Lecheng Liang , Hengyu Li , Shao Ye , Peng Li , Kaiyang Xu , Jinhui Liang , Binwen Zeng , Bo Shen , Taisuke Ozaki , Zhiming Cui

Fuel cells recombine water from H2 and O2 thereby powering e.g. cars or houses with no direct carbon emission. In anion-exchange membrane fuel cells (AEMFCs), to reach high power densities, operating at high pH is an alternative to using…

Atom probe tomography (APT) is a powerful microscopy technique to characterize nano-sized clusters of the alloying elements in the bulk of reactor pressure vessel (RPV) steels. These clusters are known to dominantly determine the evolution…

Materials Science · Physics 2024-06-06 N. Castin , P. Klups , M. Konstantinovic , G. Bonny , M. I. Pascuet , M. Moody , L. Malerba