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20022023
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

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7 papers · 1 filter

cond-mat.soft20222 cited

Discharge of elongated grains in silos under rotational shear

Tivadar Pongó, Tamás Börzsönyi, Raúl Cruz Hidalgo

The discharge of elongated particles from a silo with rotating bottom is investigated numerically. The introduction of a slight transverse shear reduces the flow rate by up to…

physics.chem-ph20227 cited

Short range order and topology of binary Ge-S glasses

Ildikó Pethes, Pál Jóvári, Stefan Michalik +6

Short range order and topology of GeS glasses over a broad composition range (20 x 42 in at%) was investigated by neutron diffraction, X-ray diffraction,…

cond-mat.mtrl-sci20225 cited

Ultra-long charge carrier recombination time in methylammonium lead halide perovskites

A. Bojtor, S. Kollarics, B. G. Markus +4

Due to their exceptional photovoltaic properties, metal halide perovskites (MHPs) are extensively studied for their potential applications in solar cells. In recent years, the powe…

cond-mat.mtrl-sci20229 cited

Molecular encapsulation from the liquid phase and graphene nanoribbon growth in carbon nanotubes

Ana Cadena, Bea Botka, Áron Pekker +5

Growing graphene nanoribbons from small organic molecules encapsulated in carbon nanotubes can result in products with uniform width and chirality. We propose a method based on enc…

cond-mat.mes-hall20221 cited

The composition and structure of the ubiquitous hydrocarbon contamination on van der Waals materials

András Pálinkás, György Kálvin, Péter Vancsó +10

The behavior of single layer van der Waals (vdW) materials is profoundly influenced by the immediate atomic environment at their surface, a prime example being the myriad of emerge…

cond-mat.soft2022

Ferroelectric nematic liquid crystal thermo-motor

Marcell Tibor Máthé, Ágnes Buka, Antal Jákli +1

A thermal gradient-induced circular motion of particles placed on ferroelectric nematic liquid crystal sessile drops is demonstrated and explained. Unlike hurricanes and tornadoes…