Publications related to Group 12 element

Data-Intensive Exploration of the Photoelectrochemical Responses of Main-Group Metal Sulfides

Materials that efficiently promote the thermodynamically uphill water-splitting reaction under solar illumination are essential for generating carbon-free ("green") hydrogen. Mapping out the combinatorial space of potential photocatalysts for this reaction ...

Amer Chemical Soc2024

Artificial Hydrophilic Organic and Dendrite-Suppressed Inorganic Hybrid Solid Electrolyte Interface Layer for Highly Stable Zinc Anodes

Lei Zhang, Kangning Zhao

Aqueous zinc-ion batteries (AZIBs) have gained significant attentions for their inherent safety and cost-effectiveness. However, challenges, such as dendrite growth and anodic corrosion at the Zn anode, hinder their commercial viability. In this paper, an ...

Amer Chemical Soc2024

Synthesis, isolation and application of a sila-ketenyl anion

Rosario Scopelliti, Shiori Fujimori

Ynolates or ketenyl anions, [RCCO]-, are negatively charged reactive intermediates, which can be generated in situ and used for divergent chemical transformations. Ynolates can react either at the oxygen or carbon centres or across the C-C triple bond, mak ...

Springernature2023

Mapping Catalyst‐Solvent Interplay in Competing Carboamination/Cyclopropanation Reactions

Nicolai Cramer, Matthew Wodrich, Anne-Clémence Corminboeuf, Miyeon Chang, Simone Gallarati

Group 9 metals, in particular Rh III complexes with cyclopentadienyl ligands, are competent C–H activation catalysts. Recently, a Cp*Rh III catalyzed reaction of alkenes with N -enoxyphthalimides showed divergent outcome based on the solvent, with carboami ...

2022

Development of Cyclopentadienylcobalt(III) Catalyzed Asymmetric C-H Functionalizations

Kristers Ozols

Transition metal catalyzed C-H activation plays a major role in modern organic chemistry, affording mild, selective and atom-efficient protocols. Most of current developments in the field rely on the use of several precious metals. As a consequence, an int ...

EPFL2022

Extended-gate field-effect transistor with aptamer functionalisation layer for measuring hormone concentration in biofluids and corresponding fabrication method

Mihai Adrian Ionescu, Shokoofeh Sheibani

The present invention concerns a biosensor (1) for sensing stress hormone cortisol concentration in a biofluid (27). The biosensor (1) comprises: an electrical transistor transducer (3) comprising a transistor gate electrode (17); a sensing electrode eleme ...

2022

Chiral Diimine Complexes of Earth-Abundant Transition Metals for Asymmetric Catalysis

Elena Braconi

The application of Earth-abundant metals in asymmetric catalysis is key to transition towards a more sustainable chemistry. In particular, expanding the library of redox-active ligands capable of supporting Earth-abundant metals is essential in order to re ...

EPFL2022

Development of High-Strength Aluminum Alloys for Additive Manufacturing

Marvin Lennard Schuster

Metal additive manufacturing (AM) offers the possibility to rapidly produce complex geometries that are not achievable with conventional manufacturing methods. The two most common technologies, Laser Powder Bed Fusion (LPBF) and Direct Metal Deposition (DM ...

EPFL2022

A comprehensive study of structure and properties of nanocrystalline zinc peroxide

Reinis Ignatans

Nanocrystalline zinc peroxide (nano-ZnO2) was synthesized through a hydrothermal process and comprehensively studied using several experimental techniques. Its crystal structure was characterized by X-ray diffraction, and the average crystallite size of 22 ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes

Rosario Scopelliti, Kay Severin, Farzaneh Fadaei Tirani, Paul Varava, Wolfram Feuerstein

Alkylidene ketenes typically display high intrinsic reactivity, impeding isolation on a preparative scale. Herein, we report the synthesis of alkylidene ketenes by reaction of imidazole-based diazoolefins with carbon monoxide. The good thermal stability of ...

Royal Society of Chemistry2021

Crystal Structures of AlCr2 and MoSi2: Same Structure Type vs. Different Bonding Pattern

Philip Johannes Walter Moll

In a joint effort utilizing modified sample preparation, microscopy, X-ray diffraction and micro-fabrication, it became possible to prepare single crystals of the "hidden" phase AlCr2. High-resolution X-ray diffraction analysis is described in detail for t ...

2021

Molecular Volcano Plots: Tools for Rationalizing and Predicting the Performance of Homogeneous Catalysts

Boodsarin Sawatlon

The generation of catalyst design tools is important for developing both economically and environmentally friendly reactions. This thesis focuses on the use and development of such a tool, molecular volcano plots, which have the ability to estimate catalyt ...

EPFL2021

Hubbard-corrected density functional perturbation theory with ultrasoft pseudopotentials

Nicola Marzari, Iurii Timrov, Matteo Cococcioni, Andrea Floris

We present in full detail a newly developed formalism enabling density functional perturbation theory (DFPT) calculations from a DFT + U ground state. The implementation includes ultrasoft pseudopotentials and is valid for both insulating and metallic syst ...

AMER PHYSICAL SOC2020

Development of a novel carboxamide-based off-on switch fluorescence sensor: Hg2+, Zn(2+)and Cd2+

Kurt Schenk

Here, the carboxamide ligandN-(thiazole-2-yl) picolinamide (L) was synthesized in an ionic liquid tetrabutylammonium bromide (TBAB) as the benign reaction medium. The sensitivity ofLtowards different metal-ions was investigated, and a comprehensive, logica ...

2020

Iron-Catalyzed Reductive Coupling of Alkyl Iodides with Alkynes To Yield cis-Olefins: Mechanistic Insights from Computation

Xile Hu

In a recent study, a new procedure for Z-selective olefin synthesis by reductive coupling of alkyl iodides with terminal alkynes in the presence of iron salts is described. This transformation is representative of many newly developed synthetic routes thro ...

AMER CHEMICAL SOC2020

Structural Disorder and Magnetic Order in Atomically Thin Crystals

Michele Pizzochero

This Thesis is mainly devoted to the exploration of the structural disorder and magnetic order in two-dimensional crystals by means of first-principles methodologies. Firstly, we present a comparative study of defect formation in the semiconducting 2H and ...

EPFL2020

Efficient Kr/Xe separation from triangular g-C(3)N(4)nanopores, a simulation study

Nicola Marzari, Kumar Varoon Agrawal, Nicola Colonna, Davide Campi, Luis Francisco Villalobos Vazquez de la Parra

Poly(triazine imide) or PTI is a promising material for molecular sieving membranes, thanks to its atom-thick ordered lattice with an extremely high density (1.6 x 10(14)pores per cm(2)) of triangular-shaped nanopores of similar to 0.34 nm diameter. Here, ...

Royal Society of Chemistry2020

Activation of small molecules promoted by multimetallic complexes supported by redox active ligands

Davide Toniolo

The activation of small molecule is a topic of high current interest. A variety of homogeneous end heterogeneous catalysts have been studied to be able to promote chemical transformation of industrial relevance under mild condition and therefore decrease t ...

EPFL2020

Predicting the reflectivity and colour of metals from first principles

Gianluca Prandini

Gold and copper are the only two elemental metals that show a characteristic colour, due to the presence of a drop in the reflectivity curve inside the visible range. Reflectivities of all other metals are in general high and flat for all visible frequenci ...

EPFL2019

Theoretical Investigation of the Electronic Structure and Magnetic Properties of Oxo-Bridged Uranyl(V) Dinuclear and Trinuclear Complexes

Marinella Mazzanti

The uranyl(V) complexes UO2(dbm)(2)K(18C6) (dbm = dibenzoylmethanate) and UO2(L)(L = 2-(4-tolyl)-1,3-bis(quinolyl)malondiiminate), exhibiting diamond-shaped U2O2 and triangular-shaped U3O3 cores respectively with 5f(1)-5f(1 )and 5f(1)-5f(1)-5f(1) ...

2019