Publications related to Electronegativity

Positive Streamer Initiation in SF6/CO2 Based on Zener's Field Ionization

In this study, experiments were performed to measure the inception and breakdown voltages of SF6/CO2 mixed gases with varying mixing ratios at two different pressures (1 and 2 bar). Using the preliminary data obtained from the experiments, a 3D particle mo ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2023

Self-Assembly of N-Rich Triimidazoles on Ag(111): Mixing the Pleasures and Pains of Epitaxy and Strain

Christian Wäckerlin, Ulrich Aschauer, Xing Wang, Mehdi Heydari

In the present report, homochiral hydrogen-bonded assemblies of heavily N-doped (C9H6N6) heterocyclic triimidazole (TT) molecules on an Ag(111) substrate were investigated using scanning tunneling microscopy (STM) and low energy electron diffraction (LEED) ...

Amer Chemical Soc2023

Quantitative electronic structure and work-function changes of liquid water induced by solute

Bruno Credidio

Recent advancement in quantitative liquid-jet photoelectron spectroscopy enables the accurate determination of the absolute-scale electronic energetics of liquids and species in solution. The major objective of the present work is the determination of the ...

ROYAL SOC CHEMISTRY2022

Colloidal-ALD Grown Hybrid Shells Nucleate via a Ligand–Precursor Complex

David Lyndon Emsley, Raffaella Buonsanti, Anna Loiudice, Kevin Rossi, Michael Allan Hope, Snaedis Björgvinsdóttir, Ona Segura Lecina, Amrit Venkatesh

Colloidal atomic layer deposition (c-ALD) enables the growth of hybrid organic/inorganic oxide shells with tunable thickness at the nanometer scale around ligand-functionalized inorganic nanoparticles (NPs). This recently developed method has demonstrated ...

2022

Interfacial Effect between Aluminum-Based Complex Hydrides and Nickel-Containing Porous Carbon Sheets

Andreas Züttel, Emad Oveisi, Loris Giovanni Lombardo, Heena Yang, Mo Li, Youngdon Ko

Supported aluminum-based complex hydrides (alanates) were investigated in view of their interaction at the interface. Nickel-containing porous carbon sheets (Ni-PCSs) were combined with various alanates, resulting in a decrease of the decomposition tempera ...

AMER CHEMICAL SOC2020

Confinement of fluorine anions in nickel-based catalysts for greatly enhancing oxygen evolution activity

Yun Tong, Pengzuo Chen

Herein, we highlighted fluorine-anion-modification as a useful method for enhancing OER catalytic activity. Fluorine-anion-doped Ni foam exhibits an almost 10-fold enhancement in OER catalytic activity. Moreover, fluorine-anion-modification could be used a ...

Royal Society of Chemistry2020

Structural and Dynamical Properties of Potassium Dodecahydro-monocarba-closo-dodecaborate: KCB11H12

Mirjana Dimitrievska, Wei Zhou

MCB11H12 (M: Li, Na) dodecahydro-monocarba-closo-dodecaborate salt compounds are known to have stellar superionic Li+ and Na+ conductivities in their high-temperature disordered phases, making them potentially appealing electrolytes in all-solid-state batt ...

AMER CHEMICAL SOC2020

High resolution CryoEM structure of the ring-shaped virulence factor EspB from Mycobacterium tuberculosis

Stewart Cole, Florence Pojer, Jérémie Piton

The EspB protein of Mycobacterium tuberculosis is a 60 kDa virulence factor, implicated in conjugation and exported by the ESX-1 system of which it may also be a component. Previous attempts to obtain high-resolution maps of EspB by cryo-electron microscop ...

2020

Colloidal-ALD-Grown Core/Shell CdSe/CdS Nanoplatelets as Seen by DNP Enhanced PASS-PIETA NMR Spectroscopy

David Lyndon Emsley, Brennan James Walder, Laura Piveteau

Ligand exchange and CdS shell growth onto colloidal CdSe nanoplatelets (NPLs) using colloidal atomic layer deposition (c-ALD) were investigated by solid-state nuclear magnetic resonance (NMR) experiments, in particular, dynamic nuclear polarization (DNP) e ...

2020

Adsorption of HPDX and CaHPOx (x=1, ...,4) molecules on anatase TiO2 (001) surfaces

Alfonso Baldereschi, Michel Posternak

perform DFT calculations within the COSMO framework to study the adsorption properties of the CaHPOx (x = 1,...,4) phosphate family, and of the related HPOx acids, on a paradigmatic anatase (001) surface. Of particular interest is CaHPO4, a precursor of hy ...

ELSEVIER SCIENCE BV2019

Development of Accurate and Efficient Electronic Structure Approaches for the Description of Organic Systems

Riccardo Petraglia

The overarching objective of this thesis is extending and adapting the set of computational tools available for describing molecular precursors of organic semiconductors. The research presented within develops adhering to three principle goals: (1) provide ...

EPFL2016

On-Surface Assembly and Reactions of Organic Molecules in Ultra-High Vacuum

Claudius Morchutt

This thesis comprises the study of two types of 2D materials, those stabilized by non-covalent and those by covalent interactions. They are synthesized and studied on well-defined metallic surfaces in ultra-high vacuum (UHV). The self-assembly of terephtha ...

EPFL2016

Long-Range Bonding/Nonbonding Interactions: A Donor Acceptor Resonance Studied by Dynamic NMR

Long-range bonding interactions were evaluated using variable-temperature NMR spectroscopy and suitable 2'-CH2X-substituted phenylpyridines (X = Me, NMe2, OMe, F). It was found that the arylpyridyl rotational barriers were lower when electronegative atoms ...

Amer Chemical Soc2015

Superconductivity in semimetallic Bi3O2S3

Henrik Moodysson Rønnow, Lin Yang, Peter Babkevich, David Parker

Here we report a further investigation on the thermodynamic and transport properties, and an assessment of theoretical calculations, for the BiS2- layered Bi3O2S3 superconductor. The polycrystalline sample is synthesized with a superconducting transition t ...

American Physical Society2015

Goldschmidt's Rules and Strontium Replacement in Lead Halogen Perovskite Solar Cells: Theory and Preliminary Experiments on CH3NH3SrI3

Ulf Anders Hagfeldt, Tor Jesper Jacobsson

During the past few years, organic lead halogen perovskites have emerged as a class of highly promising solar cell materials, with certified solar cell efficiencies now surpassing 20%. Concerns have, however, been raised about the possible environmental an ...

American Chemical Society2015

Surprising acidity of hydrated lithium cations in organic solvents

Hubert Girault, Liang Qiao, Pekka Eero Peljo, Thomas James Stockmann, Haiqiang Deng

Lithium cations are shown to have a significant role on catalyzing oxygen and proton reduction along with SN1 reactions in biphasic systems. We propose that this catalytic effect is due to the surprising acidity of the hydrated cations; interactions betwee ...

Royal Society of Chemistry2014

Nitranilic acid hexahydrate, a novel benchmark system of the Zundel cation in an intrinsically asymmetric environment: spectroscopic features and hydrogen bond dynamics characterised by experimental and theoretical methods

Nitranilic acid (2,5-dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione) as a strong dibasic acid in acidic aqueous media creates the Zundel cation, H5O2+. The structural unit in a crystal comprises (H5O2)(2)(+)(2,5-dihydroxy-3,6-dinitro-1,4-benzoquinonate ...

Royal Soc Chemistry2014

Low Temperature Hermetic Wafer Bonding and Microfabrication of Wall-Coated Alkali Vapor Cells for Chip-Scale Atomic Clocks

Rahel Strässle

The increasing demand for highly precise, yet compact and low power timing devices pushes the research in the field of chip scale atomic clocks (CSACs). At the heart of a CSAC, there is a vapor cell containing a few micrograms of alkali metal, such as rubi ...

EPFL2013

Electronic and Structural Properties of the Ge/GeO2 Interface through Hybrid Functionals

Jan Felix Binder

The performance of silicon based microelectronic circuits reaches the end of the roadmap. New material systems are required for further improvements in speed and power consumption. Germanium is a possible candidate to substitute silicon for microelectronic ...

EPFL2012

Adsorption of low-molecular-weight molecules on the surface of a sodium smectite clay: an ab initio study

John Christopher Plummer, Wanda Andreoni, Pascal Clausen, Alessandro Curioni

We present a study of the adsorption of single molecules of volatiles, such as water, ethanol, ethyl acetate, pyridine, toluene, and n-octane, on the dry surface of a smectite clay using a series of calculations based on density functional theory. Our clay ...

2009