Concept

Group (periodic table)

Related publications (51)

To bend or not to bend, the dilemma of multiple bonds

Beyond the second row of the periodic table, the nature of the multiple bonds between the elements of the main groups remains yet elusive, and "non-classical" bonding schemes are often invoked for their description. Here, focusing on group 14, we have perf ...

ROYAL SOC CHEMISTRY2019

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

Crystal field, ligand field, and interorbital effects in two-dimensional transition metal dichalcogenides across the periodic table

Oleg Yazyev, Diego José Pasquier

Two-dimensional (2D) transition metal dichalcogenides (TMDs) exist in two polymorphs, referred to as 1T and 1H, depending on the coordination sphere of the transition metal atom. The broken octahedral and trigonal prismatic symmetries lead to different cry ...

IOP PUBLISHING LTD2019

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Diego José Pasquier

This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX

_2

(where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...

EPFL2019

Electronic Structure and Topology of Novel Materials

Antimo Marrazzo

The ground and excited electronic states are responsible for several materials' properties. The modern capability of rapidly solving on a computer the fundamental equations of relativistic or semi-relativistic quantum mechanics allows to compute the electr ...

EPFL2019

Representations and descriptors unifying the study of molecular and bulk systems

Kevin Rossi

Establishing a unified framework for describing the structures of molecular and periodic systems is a long-standing challenge in physics, chemistry, and material science. With the rise of machine learning methods in these fields, there is a growing need fo ...

WILEY2019

Non-Precious Electrodes for Practical Alkaline Water Electrolysis

Hubert Girault, Alberto Battistel, Alejandro Nicolás Colli

Water electrolysis is a promising approach to hydrogen production from renewable energy sources. Alkaline water electrolyzers allow using non-noble and low-cost materials. An analysis of common assumptions and experimental conditions (low concentrations, l ...

2019

Feature optimization for atomistic machine learning yields a data-driven construction of the periodic table of the elements

Michele Ceriotti, Félix Benedito Clément Musil, Michael John Willatt

Machine-learning of atomic-scale properties amounts to extracting correlations between structure, composition and the quantity that one wants to predict. Representing the input structure in a way that best reflects such correlations makes it possible to im ...

2018

Reactive species monitoring and their contribution for removal of textile effluent with photocatalysis under UV and visible lights: Dynamics and mechanism

Sami Rtimi

In this study, the photocatalytic activities were investigated for the treatment of Reactive Green 12 (RG 12) solution under UV and visible irradiation using Cu doped TiO2, and TiO2 impregnated on (1) cellulose and (2) UV-C activated polyester catalysts. T ...

ELSEVIER SCIENCE SA2018

High-contrast self-imaging with ordered optical elements

Hans Peter Herzig, Ali Naqavi, Mattia Rossi

Creating arbitrary light patterns has applications in various domains, including lithography, beam shaping, metrology, sensing, and imaging. We study the formation of high-contrast light patterns obtained by transmission through an ordered optical element ...

Optical Soc Amer2016

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Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Diego José Pasquier

This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX

_2

(where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...

EPFL2019