Publications related to Correlation between Ethylene Adsorption Energies and Core-Level Shifts for Pd Nanoclusters

Adsorption of Copper by Naturally and Artificially Aged Polystyrene Microplastics and Subsequent Release in Simulated Gastrointestinal Fluid

Florian Frédéric Vincent Breider, Thibault Béranger Masset, Lu Zhou

Microplastics, especially aged microplastics can become vectors of metals from environment to organisms with potential negative effects on food chain. However, a few studies focused on the bioavailability of adsorbed metals and most studies related to aged ...

2024

Co-Adsorption of Alcohols and Water in JUK-8 Studied Using Quasi-Equilibrated Thermodesorption

Pattaraphon Rodlamul

JUK-8 ([Zn(oba)(pip)]n, oba2- = 4,4 '-oxybis(benzenedicarboxylate), pip = 4-pyridyl-functionalized benzene-1,3-dicarbohydrazide) is a hydrolytically stable flexible metal-organic framework. Owing to its unusual adsorptive properties, JUK-8 can be considere ...

MDPI2024

The molecular scale mechanism of deposition ice nucleation on silver iodide

Mária Lbadaoui-Darvas, Athanasios Nenes, André Welti

Heterogeneous ice nucleation is a ubiquitous process in the natural and built environment. Deposition ice nucleation, i.e. heterogeneous ice nucleation that - according to the traditional view - occurs in a subsaturated water vapor environment and in the a ...

Royal Soc Chemistry2024

Selection and Optimal Use of Nanoporous Materials for Adsorption Energy Technologies

Emanuele Piccoli

Due to the large waste of heat in the power and industrial sectors, our use of energy is inefficient. Moreover, it relies on rapidly depleting and greenhouse-gas-emitting sources such as fossil fuels. While the scarcity of energy resources is a relevant so ...

EPFL2023

Understanding the role of surface oxygen-containing functional groups on carbon-supported cobalt catalysts for the oxygen evolution reaction

Thi Ha My Pham, Andreas Züttel, Youngdon Ko, Kangning Zhao, Liping Zhong, Manhui Wei

Supported Co-based catalysts exhibit promising catalytic activities in the oxygen evolution reaction (OER) during alkaline water electrolysis. Surface functionalization of the support modulates the dispersion of the catalysts and their interaction with the ...

Royal Society of Chemistry2023

Single-Walled Black Phosphorus Nanotube as a NO(2 )Gas Sensor

Pengfei Ou, Xiao Zhou, Cheng Chen

An ab initio density functional theory study on the candidacy of single-walled black phosphorus nanotubes (BPNTs) towards sensing several common toxic gas molecules (NH3, CO, NO, NO2, and SO2) was conducted. Various adsorption characteristics, including th ...

ELSEVIER2022

Adsorption Behavior of the Coenzyme NADH at the Carbon/ Electrolyte Interface Determined by Neutron Reflectometry

The adsorption behavior of beta-nicotinamide adenine dinucleotide (NADH) at the carbon/electrolyte interface has been studied using a combination of neutron reflectometry (NR) and solution depletion isotherms. Coupling the NR technique with an electrochemi ...

2022

Flowing Gas Experiments Reveal Mechanistic Details of Interfacial Reactions on a Molecular Level at Knudsen Flow Conditions

Michel Rossi, Christian Ludwig, Riccardo Iannarelli

Knudsen flow experiments and its interpretation in terms of adsorption/desorption kinetics as well as quantitative uptake on substrates of interest is presented together with the description of critical design parameters of the Knudsen Flow Reactor (KFR). ...

2022

Characterization of Chemisorbed Species and Active Adsorption Sites in Mg-Al Mixed Metal Oxides for High-Temperature CO2 Capture

Berend Smit, Christopher Patrick Ireland, Kevin Maik Jablonka, Susana Garcia Lopez

Mg-Al mixed metal oxides (MMOs), derived from the decomposition of layered double hydroxides (LDHs), have been purposed as adsorbents for CO2 capture of industrial plant emissions. To aid in the design and optimization of these materials for CO2 capture at ...

AMER CHEMICAL SOC2022

Oxygen Evolution at the BiVO4-Water Interface: Mechanism of the Water Dehydrogenation Reaction

Alfredo Pasquarello, Julia Anna Wiktor, Sai Lyu

We study the water dehydrogenation reaction at the BiVO4(010)-water interface by combining nudged-elastic-band calculations and electronic structure calculations at the hybrid functional level. We investigate the pathway and the kinetic barrier for the adi ...

AMER CHEMICAL SOC2022

In Situ Monitoring of the Surface Evolution of a Silver Electrode from Polycrystalline to Well-Defined Structures

Yunchang Liang

Capturing the surface-structural dynamics of metal electrocatalysts under certain electrochemical environments is intriguingly desired for understanding the behavior of various metal-based electrocatalysts. However, in situ monitoring of the evolution of a ...

AMER CHEMICAL SOC2022

Process-informed adsorbent design guidelines for direct air capture

Berend Smit, Susana Garcia Lopez, Fergus Robert Lloyd Mcilwaine

Direct air capture using solid adsorbents is a proven technology critical to reducing our net greenhouse gas emissions to zero and beyond. Currently, academic research into the technology mainly focuses on the devel-opment of new adsorbents. However, there ...

ELSEVIER SCIENCE SA2022

Tandem effect of Ag@C@Cu catalysts enhances ethanol selectivity for electrochemical CO2 reduction in flow reactors

Thi Ha My Pham, Andreas Züttel, Wen Luo, Jie Zhang, Mo Li, Youngdon Ko, Cedric David Koolen, Liping Zhong

CO-selective metals (e.g., Ag) on Cu catalysts improve the selec-tivity of multi-carbon (C2+) products in electrochemical CO2 reduc-tion. However, the origin of the improvement remains unclear due to the convolution of tandem and interface effects. Here, A ...

ELSEVIER2022

Electrokinetic, electrochemical, and electrostatic surface potentials of the pristine water liquid-vapor interface

Philip Robin Loche

Although conceptually simple, the air-water interface displays rich behavior and is subject to intense experimental and theoretical investigations. Different definitions of the electrostatic surface potential as well as different calculation methods, each ...

AIP Publishing2022

Electronic Structure of InAs and InSb Surfaces: Density Functional Theory and Angle-Resolved Photoemission Spectroscopy

Gabriel Aeppli, Vladimir N. Strocov

The electronic structure of surfaces plays a key role in the properties of quantum devices. However, surfaces are also the most challenging to simulate and engineer. Here, the electronic structure of InAs(001), InAs(111), and InSb(110) surfaces is studied ...

WILEY2022

Infrared Activities of Adsorbed Species on Metal Surfaces: The Puzzle of Adsorbed Methyl (CH3)

Rainer Beck, Harmina Vejayan

Reflection–absorption infrared spectroscopy (RAIRS) is widely used to identify molecular adsorbates on metals during surface chemical reactions, but the interpretation of RAIRS data can be difficult with experiment alone. Here, we reveal from first-princip ...

2021

Silica-copper catalyst interfaces enable carbon-carbon coupling towards ethylene electrosynthesis

Michael Graetzel, Yelin Hu, Reza Zamani, Xiaoyan Wang, Dan Ren, Jun Li, Ziyun Wang, Yi Xu

Membrane electrode assembly (MEA) electrolyzers offer a means to scale up CO2-to-ethylene electroconversion using renewable electricity and close the anthropogenic carbon cycle. To date, excessive CO2 coverage at the catalyst surface with limited active si ...

Nature Research2021

An Experimental Setup for Heterogeneous Catalysis on Atomically Defined Metal Nanostructures

Jean-Guillaume De Groot

The main objective of this PhD thesis is to link the atomic scale structure to the catalytic properties of self-assembled nanostructures. The growth and characterization of these nanostructures was carried out in an ultra-high vacuum (UHV) chamber initiall ...

EPFL2021

Toward smart carbon capture with machine learning

Mohammad Rahimi, Seyedmohamad Moosavi, Berend Smit

Machine learning (ML) is emerging as a powerful approach that has recently shown potential to affect various frontiers of carbon capture, a key interim technology to assist in the mitigation of climate change. In this perspective, we reveal how ML implemen ...

ELSEVIER2021

New Insights into the Interface of Electrochemical Flow Cells for Carbon Dioxide Reduction to Ethylene

Michael Graetzel, Shaik Mohammed Zakeeruddin, Dan Ren, Jing Gao

The implementation of an electrochemical flow cell has enabled improved efficiency for CO2 reduction. However, in situ spectroscopic insights into the interface are still lacking. Here, we investigate a series of copper layers with different thicknesses on ...

AMER CHEMICAL SOC2021