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Concept

Frenkel defect

Related publications (31)

The Advantage of Nanowire Configuration in Band Structure Determination

Anna Fontcuberta i Morral, Simon Robert Escobar Steinvall, Elias Zsolt Stutz, Mirjana Dimitrievska

Earth-abundant and environmentally friendly semiconductors offer a promising path toward low-cost mass production of solar cells. A critical aspect in exploring new semiconducting materials and demonstrating their enhanced functionality consists in disenta ...

2021

Catalyzing Bond-Dissociation in Graphene via Alkali-Iodide Molecules

Klaus Kern, Stephan Rauschenbach, Sabine Abb, Sven Alexander Szilagyi, Hannah Julia Ochner

Atomic design of a 2D-material such as graphene can be substantially influenced by etching, deliberately induced in a transmission electron microscope. It is achieved primarily by overcoming the threshold energy for defect formation by controlling the kine ...

WILEY-V C H VERLAG GMBH2021

Bottom-up synthesis of graphene films hosting atom-thick molecular-sieving apertures

Emad Oveisi, Kumar Varoon Agrawal, Kangning Zhao, Victor Carle Adrien Boureau, Luis Francisco Villalobos Vazquez de la Parra, Shiqi Huang, Mostapha Dakhchoune, Shaoxian Li, Kuang-Jung Hsu, Cédric Karel J Van Goethem, Yueqing Shen, Mina Moradi

Incorporation of a high density of molecular-sieving nanopores in the graphene lattice by the bottom-up synthesis is highly attractive for high-performance membranes. Herein, we achieve this by a controlled synthesis of nanocrystalline graphene where incom ...

National Academy of Sciences2021

Unified analysis of topological defects in 2D systems of active and passive disks

Ignacio Pagonabarraga Mora, Pasquale Digregorio

We provide a comprehensive quantitative analysis of localized and extended topological defects in the steady state of 2D passive and active repulsive Brownian disk systems. We show that, both in and out-of-equilibrium, the passage from the solid to the hex ...

ROYAL SOC CHEMISTRY2021

Permanent photodoping of plasmonic gallium-ZnO nanocrystals

Reinis Ignatans

Donor dopants in oxide semiconductors are compensated not only by valuable electrons but also by other point defects, leading to a decrease in electric conductivity and infrared absorption. We demonstrate that the electron compensation mechanism in Ga dope ...

ROYAL SOC CHEMISTRY2020

The emergence of magnetic ordering at complex oxide interfaces tuned by defects

Paul Muralt, Vasiliki Tileli, Daesung Park

Complex oxides show extreme sensitivity to structural distortions and defects, and the intricate balance of competing interactions which emerge at atomically defined interfaces may give rise to unexpected physics. In the interfaces of non-magnetic complex ...

Nature Research2020

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

Mirjana Dimitrievska

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

Theoretical maximum photogeneration efficiency and performance characterization of InxGa1-xN/Si tandem water-splitting photoelectrodes

Sophia Haussener, Yannick Kenneth Gaudy

InxGa1-xN is a promising material for flexible and efficient water-splitting photoelectrodes since the bandgap is tunable by modifying the indium content. We investigate the potential of an InxGa1-xN/Si tandem used as a water-splitting photoelectrode. We p ...

2020

Identifying and Tracking Defects in Dynamic Supramolecular Polymers

Michele Ceriotti, Piero Gasparotto

A central paradigm of self-assembly is to create ordered structures starting from molecular monomers that spontaneously recognize and interact with each other via noncovalent interactions. In recent years, great efforts have been directed toward perfecting ...

AMER CHEMICAL SOC2020

Characterizing crystalline defects in single nanoparticles from angular correlations of single-shot diffracted X-rays

Christoph Bostedt

Characterizing and controlling the uniformity of nanoparticles is crucial for their application in science and technology because crystalline defects in the nanoparticles strongly affect their unique properties. Recently, ultra-short and ultra-bright X-ray ...

INT UNION CRYSTALLOGRAPHY2020

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