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20022024
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

Showing 2020 · cond-mat.mtrl-sciShow all

18 papers · 2 filters

cond-mat.mtrl-sci20203 cited

Efficient partitioning of surface Green's function: toward ab initio contact resistance study

Guido Gandus, Youseung Lee, Daniele Passerone +1

In this work, we propose an efficient computational scheme for first-principle quantum transport simulations to evaluate the open-boundary conditions. Its partitioning differentiat…

cond-mat.mtrl-sci2020134 cited

Oxygen Evolution Reaction on Perovskites: A Multieffect Descriptor Study Combining Experimental and Theoretical Methods

Xi Cheng, Emiliana Fabbri, Yuya Yamashita +6

The correlation between ex situ electronic conductivity, oxygen vacancy content, flat-band potential (Efb), and the oxygen evolution reaction (OER) activity for a wide range of per…

cond-mat.mtrl-sci202093 cited

Highly Active Nanoperovskite Catalysts for Oxygen Evolution Reaction: Insights into Activity and Stability of Ba0.5Sr0.5Co0.8Fe0.2O3 and PrBaCo2O6

Bae Jung Kim, Xi Cheng, Daniel Abbott +9

It is shown that producing PrBaCo2O5 and Ba0.5Sr0.5Co0.8Fe0.2O3 nanoparticle by a scalable synthesis method leads to high mass activities for the oxygen evolution reaction with out…

cond-mat.mtrl-sci20205 cited

Topology in quasicrystals

Oded Zilberberg

Topological phases of matter have sparked an immense amount of activity in recent decades. Topological materials are classified by topological invariants that act as a non-local or…

cond-mat.mtrl-sci202010 cited

Systematic study of nonmagnetic resistance changes due to electrical pulsing in single metal layers and metal/antiferromagnet bilayers

B. J. Jacot, G. Krishnaswamy, G. Sala +4

Intense current pulses are often required to operate microelectronic and spintronic devices. Notably, strong current pulses have been shown to induce magnetoresistance changes attr…

cond-mat.mtrl-sci20204 cited

Phase Transitions in Germanium Telluride Nanoparticle Phase-Change Materials Studied by Time-Resolved X-Ray Diffraction

Ann-Katrin U. Michel, Felix Donat, Aurelia Siegfried +6

Germanium telluride (GeTe), a phase-change material, is known to exhibit four different structural phases: three at room temperature (one amorphous and two crystalline, and