Valence (chemistry)

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Related publications (30)

Two analytical approaches quantifying the electron donating capacities of dissolved organic matter to monitor its oxidation during chlorination and ozonation

Urs von Gunten

Electron-donating activated aromatic moieties, including phenols, in dissolved organic matter (DOM) partially control its reactivity with the chemical oxidants ozone and chlorine. This comparative study introduces two sensitive analytical systems to direct ...

2018

Orientational ordering of water in extended hydration shells of cations is ion-specific and is correlated directly with viscosity and hydration free energy

Yixing Chen, Sylvie Roke, Halil Ibrahim Okur, Chung-Wen Liang

Specific ion effects in aqueous solutions are investigated at the molecular, nanoscopic and macroscopic levels. Femtosecond elastic second harmonic scattering (fs-ESHS) is used here to assess the chemical effects of ions on molecular and nanoscopic length ...

2017

High-energy electronic interaction in the 3d band of high-temperature iron-based superconductors

Maryna Viazovska, Helmuth Berger

One of the most unique and robust experimental facts about iron-based superconductors is the renormalization of the electronic band dispersion by factor of 3 and more near the Fermi level. Obviously related to the electron pairing, this prominent deviation ...

2017

Predictive Determination of Band Gaps of Inorganic Halide Perovskites

Alfredo Pasquarello, Ursula Röthlisberger, Julia Anna Wiktor

We carry out first-principles calculations of band gaps of cubic inorganic perovskites belonging to the class CsBX3, with B = Pb, Sn and X = Cl, Br, I. We use the quasi particle self-consistent GW method with efficient vertex corrections to calculate the e ...

2017

Valence and conduction band tuning in halide perovskites for solar cell applications

Ursula Röthlisberger, Simone Meloni, Giulia Palermo, Negar Ashari Astani

We performed density functional calculations aimed at identifying the atomistic and electronic structure origin of the valence and conduction band, and band gap tunability of halide perovskites ABX(3) upon variations of the monovalent and bivalent cations ...

Royal Society of Chemistry2016

Two-dimensional metal-organic networks as templates for the self-assembly of atom and cluster arrays

Giulia Elisabetta Pacchioni

This thesis presents a study of the use of two-dimensional metal-organic systems as templates for the organization of metal atoms and clusters on surfaces. We start with a systematic characterization of the metal-organic porous networks formed on Cu(111) b ...

EPFL2016

Free-standing electronic character of monolayer

Andras Kis, Dumitru Dumcenco, Olivier Renault, Yen-Cheng Kung, Ming-Wei Chen, Hokwon Kim

We have evaluated as-grown MoS2 crystals, epitaxially grown on a monocrystalline sapphire by chemical vapor deposition (CVD), with direct electronic band-structure measurements by energy-filtered k-space photoelectron emission microscopy performed with a c ...

Amer Physical Soc2016

Possibility of an unconventional spin state of Ir4+ in Ba21Ir9O43 single crystal

László Forró, Henrik Moodysson Rønnow, Arnaud Magrez, Oleg Yazyev, Alla Arakcheeva, Ivica Zivkovic, Bálint Náfrádi, Lin Yang, Andrea Pisoni, Sergiy Katrych, Jacim Jacimovic, Noore Elahi Shaik

We report the synthesis of single crystals of a novel layered iridate Ba21Ir9O43 and present the crystallographic, transport, and magnetic properties of this material. The compound has a hexagonal structure with two iridium oxide layers stacked along the c ...

Amer Physical Soc2016

Ultrafast Photophysics of Transition Metal Complexes

Majed Chergui

CONSPECTUS: The properties of transition metal complexes are interesting not only for their potential applications in solar energy conversion, OLEDs, molecular electronics, biology, photochemistry, etc. but also for their fascinating photophysical properti ...

American Chemical Society2015

Mimicking Enzymatic Active Sites on Surfaces for Energy Conversion Chemistry

Klaus Kern, Magalí Alejandra Lingenfelder, Sebastian Stepanow

Metal organic supramolecular chemistry on surfaces has matured to a point where its underlying growth mechanisms are well understood and structures of defined coordination environments of metal atoms can be synthesized in a controlled and reproducible proc ...

Amer Chemical Soc2015

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