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Concept

Halide

Related publications (28)

Anionic character of the conduction band of sodium chloride

Klaus Kern, Abhishek Grewal

The alkali halides are ionic compounds. Each alkali atom donates an electron to a halogen atom, leading to ions with full shells. The valence band is mainly located on halogen atoms, while, in a traditional picture, the conduction band is mainly located on ...

Nature Portfolio2022

High Aspect Ratio Au Microflakes via Gap-Assisted Synthesis

Giulia Tagliabue, Fateme Kiani Shahvandi

Ultrathin and extra-large single-crystalline Au microflakes (Au MFs) have a huge potential in applications ranging from nanophotonics to catalysis. Yet, wet chemical synthesis approaches cannot access this size range due to the proportionality between grow ...

2022

Molecular dynamics simulations of the evaporation of hydrated ions from aqueous solution

Philip Robin Loche

Although important for atmospheric processes and gas-phase catalysis, very little is known about the hydration state of ions in the vapor phase. Here we study the evaporation energetics and kinetics of a chloride ion from liquid water by molecular dynamics ...

NATURE PORTFOLIO2022

Ring-Opening Reactions of Aminocyclopropanes and Aminocyclobutanes

Mingming Wang

Nitrogen-containing compounds are an important class of molecules in medicinal chemistry, chemical biology, biochemistry, material sciences or environmental sciences. Organic nitrogen occurs in many forms, ranging from small building blocks such as urea, a ...

EPFL2022

Renewable monomer and polymer thereof

Jeremy Luterbacher, Stefania Bertella, Lorenz Perry Manker, Graham Reid Dick

Described is a compound having the structure (I), (II) or (V), Formulae(I), (II), (V), wherein R1 is -H, -CH2OH or -CH(OH)CH2OH; R2 is -H, -OH, or -CH2OH; R3 is -H, -OH, or -CH2OH; n is 0 or 1; p is 0 or 1; R10 is hydrogen or a hydrocarbon moiety with 1 to ...

2021

Emergence of Potential-Controlled Cu-Nanocuboids and Graphene-Covered Cu-Nanocuboids under Operando CO2 Electroreduction

Magalí Alejandra Lingenfelder, Fernando Pablo Cometto, Karla Banjac, Thanh Hai Phan

The electroreduction of CO2 (CO2RR) is a promising strategy toward sustainable fuels. Cu is the only Earth-abundant and pure metal capable of catalyzing CO2-to-hydrocarbons conversion with significant Faradaic efficiencies; yet, its dynamic structure under ...

AMER CHEMICAL SOC2021

Layered Hybrid Formamidinium Lead Iodide Perovskites: Challenges and Opportunities

Michael Graetzel, Shaik Mohammed Zakeeruddin, Jovana Milic

Hybrid halide perovskite materials have become one of the leading candidates for various optoelectronic applications. They are based on organic-inorganic structures defined by the AMX(3) composition, were A is the central cation that can be either organic ...

American Chemical Society2021

Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes

Rosario Scopelliti

A series of Cu(diimine)(X-sal)(NO3) complexes, where the diimine is either 2,2'-bipyridine (bpy) or 1,10-phenanthroline (phen) and X-sal is a monoanionic halogenated salicylaldehyde (X = Cl, Br, I, or H), have been synthesized and characterized by elementa ...

AMER CHEMICAL SOC2020

Electrosorption at metal surfaces from first principles

Nicola Marzari

Electrosorption of solvated species at metal electrodes is a most fundamental class of processes in interfacial electrochemistry. Here, we use its sensitive dependence on the electric double layer to assess the performance of ab initio thermodynamics appro ...

NATURE PUBLISHING GROUP2020

Synthetic methodologies for C-C and C-N bond formation involving alkyl radicals

Guido Barzanò

C-C and C-N bonds are some of the most common structures in molecules ranging from drugs to catalysts and to food additives. Many coupling reactions were developed to form these types of bonds with excellent selectivity and good performance. Still, the syn ...

EPFL2020

Postpassivation of Multication Perovskite with Rubidium Butyrate

Ulf Anders Hagfeldt, Rodrigo Szostak

Many multication perovskites for highly stable and efficient solar cells benefit from rubidium iodide introduced in the precursor solution. It is well-known that Rb+ influences positively the optoelectronic and mobility properties and has a direct effect u ...

AMER CHEMICAL SOC2020

Exploring Perovskite-Metal Nanoassemblies for Photocatalytic Applications

Seryio Saris

The development of sustainable, renewable and economic chemical processes lies in the centre of todayâ s global energy challenge. Like in plants, artificial photosynthesis offers an auspicious solution in harvesting solar energy and storing it in chemical ...

EPFL2020

First-principles calculations of iodine-related point defects in CsPbI3

Joachim Maier, Alessandro Senocrate

We present here first principles hybrid functional calculations of the atomic and electronic structure of several iodine-related point defects in CsPbI3, a material relevant for photovoltaic applications. We show that the presence of neutral interstitial I ...

2019

1,3-Difunctionalization of Aminocyclopropanes via Dielectrophilic Intermediates

Jérôme Waser, Mingming Wang

We report an oxidative ring-opening strategy to transform acyl, sulfonyl or carbamate protected aminocyclopropanes into 1,3-dielectrophilic carbon intermediates bearing a halide atom (Br, I) and a N,O-acetal. Replacing the alkoxy group of the N,O-acetal ca ...

Wiley-VCH Verlag GmbH2019

Intricacies of Cation-Anion Combinations in Imidazolium Salt-Catalyzed Cycloaddition of CO2 Into Epoxides

Paul Joseph Dyson, Gabor Laurenczy, Felix Daniel Bobbink, Martin Hulla, Dmitry Vasilyev, Florent Menoud

The cycloaddition of CO2 into epoxides catalyzed by imidazolium and related salts continues to attract attention due to the industrial importance of the cyclic carbonate products. The mechanism of the imidazolium-catalyzed transformation has been proposed ...

2018

A versatile route to homo- and hetero-bimetallic 5f–5f and 3d–5f complexes supported by a redox active ligand framework

Marinella Mazzanti, Julie Renée Michelle Andrez, Davide Toniolo

The salt-elimination reaction of the complex [Na2U(bis-salophen)] with metal halides provides an entry to the synthesis of well-defined homobimetallic uranium–uranium and rare heterobimetallic uranium–cobalt and uranium–nickel complexes supported by a redo ...

2017

Globularity-Selected Large Molecules for a New Generation of Multication Perovskites

Michael Graetzel, Ulf Anders Hagfeldt, Wolfgang Richard Tress, Michael Saliba, Antonio Abate, Juan-Pablo Correa-Baena

Perovskite solar cells (PSCs) use perovskites with an APbX(3) structure, where A is a monovalent cation and X is a halide such as Cl, Br, and/or I. Currently, the cations for high-efficiency PSCs are Rb, Cs, methylammonium (MA), and/or formamidinium (FA). ...

Wiley-Blackwell2017

A new formation strategy of hybrid perovskites via room temperature reactive polyiodide melts

Michael Graetzel, Shaik Mohammed Zakeeruddin

Here we introduce a new solvent-free preparation method for hybrid metal halide perovskites involving the direct reaction of metallic lead with polyiodide melts. We discovered new reactive polyiodide melts (RPMs) that can be prepared simply by adding eleme ...

Royal Society of Chemistry2017

Suppressing Nucleation in Metal–Organic Chemical Vapor Deposition of MoS2

Andras Kis, Dmitrii Unuchek, Dmitry Ovchinnikov, Davide Deiana, Hokwon Kim

Toward the large-area deposition of MoS2 layers, we employ metal–organic precursors of Mo and S for a facile and reproducible van der Waals epitaxy on c-plane sapphire. Exposing c-sapphire substrates to alkali metal halide salts such as KI or NaCl together ...

American Chemical Society (ACS)2017

Stereoselective synthesis of alkenes via base-metal-catalyzed addition reactions to alkynes and activation of hydrogen peroxide and carbon dioxide by iron complexes

Fedor Zhurkin

Alkene functionality can be found in the majority of natural products, drugs, catalysts and organic materials. Therefore, methods of C-C double bond formation constitute a cornerstone of organic synthesis. Selective formation of either (Z)- or (E)-isomer i ...

EPFL2017