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Functionalization of nanoporous metallic materials enables the tailoring of surface chemistry and morphology in nanostructured materials, optimising their performance for electrocatalytic and sensor applications. Liquid phase chemical…

Predictive simulation of surface chemistry is of paramount importance for progress in fields from catalysis to electrochemistry and clean energy generation. Ab-initio quantum many-body methods should be offering deep insights into these…

Materials Science · Physics 2025-01-03 Zigeng Huang , Zhen Guo , Changsu Cao , Hung Q. Pham , Xuelan Wen , George H. Booth , Ji Chen , Dingshun Lv

We present a study of the solvation properties of model aqueous electrode interfaces. The exposed electrodes we study strongly bind water and have closed packed crystalline surfaces, which template an ordered water adlayer adjacent to the…

Statistical Mechanics · Physics 2015-06-11 David T. Limmer , Adam P. Willard , Paul A. Madden , David Chandler

Here we present an overview of recent fundamental studies on the nature of the interaction between individual metal atoms and metal clusters and the conjugated surfaces of graphene and carbon nanotube with a particular focus on the…

Materials Science · Physics 2014-09-19 Santanu Sarkar , Robert Cort Haddon

Hydrogen as a fuel can be stored safely with high volumetric density in metals. It can, however, also be detrimental to metals causing embrittlement. Understanding fundamental behavior of hydrogen at atomic scale is key to improve the…

Materials Science · Physics 2020-02-05 Sytze de Graaf , Jamo Momand , Christoph Mitterbauer , Sorin Lazar , Bart J. Kooi

Understanding the response of the surface of metallic solids to external electric field sources is crucial to characterize electrode-electrolyte interfaces. Continuum electrostatics offer a simple description of the induced charge density…

Chemical Physics · Physics 2021-12-14 Giovanni Pireddu , Laura Scalfi , Benjamin Rotenberg

Surface structure affects the growth, shape and properties of nanoparticles. In wet chemical syntheses, metal additives and surfactants are used to modify surfaces and guide nanocrystal growth. To understand this process, it is critical to…

Ab initio modeling of electrochemical systems is becoming a key tool for understanding and predicting electrochemical behavior. Development and careful benchmarking of computational electrochemical methods are essential to ensure their…

Chemical Physics · Physics 2017-03-01 Ravishankar Sundararaman , Kathleen Schwarz

Low-temperature scanning tunneling microscopy is used here to study dynamic bonding of gold atoms on surfaces under low coordination conditions. In the experiments, using an atomically-sharp gold tip, a gold adatom is deposited onto a gold…

Materials Science · Physics 2022-10-05 W. Dednam , S. Tewari , E. B. Lombardi , J. J. Palacios , J. M. van Ruitenbeek , C. Sabater

A computational approach for predictive simulations of the nanoscale morphology in the early steps of the formation of the interface between metals and organic molecular semiconductors is presented. Despite the relevance of the…

Materials Science · Physics 2020-01-22 Francesco Mercuri

Chemical interface damping is a change in the effective collision frequency of conduction band electrons in metal originating from a chemical change of the metal interface. In this work, we present in-situ ellipsometric measurements that…

Materials Science · Physics 2024-09-12 Maurice Pfeiffer , Xinyan Wu , Fatemeh Ebrahimi , Nadiia Mameka , Manfred Eich , Alexander Petrov

Freestanding oxide films offer significant potential for integrating exotic quantum functionalities with semiconductor technologies. However, their performance is critically limited by surface roughness and interfacial imperfection caused…

Materials Science · Physics 2025-11-04 Huaicheng Yuan , Yu-Chen Liu , Li-Shu Wang , Zehao Dong , Jan-Chi Yang , Zhen Chen

Alkali intercalated graphite compounds represent a compelling modification of carbon with significant application potential and various fundamentally important phases. We report on the intercalation of graphite with alkali atoms (Li and K)…

Strongly Correlated Electrons · Physics 2019-12-19 B. G. Márkus , S. Kollarics , P. Szirmai , B. Náfrádi , L. Forró , J. C. Chacón-Torres , T. Pichler , F. Simon

The determination of depth profiles across interfaces is of primary importance in many scientific and technological areas. Photoemission spectroscopy is in principle well suited for this purpose, yet a quantitative implementation for…

The chemical behaviour of single metal atoms largely depends on the local coordination environment, including interactions with the substrate and with the surrounding gas or liquid. However, the key instrumentation for studying such systems…

A quantitative understanding of the electromagnetic response of materials is essential for the precise engineering of maximal, versatile, and controllable light--matter interactions. Material surfaces, in particular, are prominent platforms…

In the quest for better energy storage solutions, the role of designing effective electrodes is crucial. Previous research has shown that using materials like single-side fluorinated graphene can improve the stability of ion insertion in…

Materials Science · Physics 2024-08-28 Yu-Hsiu Lin , Jose L. Mendoza-Cortes

A series of experiments were conducted using the STM instrument, which involves a conducting tip probe to analyse sample surfaces by measurements of a tunnelling current. In this experiment, STM was used to (1) determine the lattice…

Mesoscale and Nanoscale Physics · Physics 2022-09-13 Ahmed Abdelwahab

The study of ion dissolution from metal surfaces has a long-standing history, wherein the gradual dissolution of solute atoms with increasing electrode potential, leading to their existence as ions in the electrolyte with integer charges,…

Materials Science · Physics 2023-09-04 Mingqing Liu , Tong-Yi Zhang , Sheng Sun

To achieve atomic-level characterization of the diamond (001) surface, persistent efforts have been made over the past few decades. The motivation behind the pursuit extends beyond investigating surface defects and adsorbates; it also…

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