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20052023
most citedSimulation and understanding of quantum crystals

161 citations · 1k across the 54 of their papers we have counts for

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Showing cond-mat.mtrl-sciShow all

48 papers · 1 filter

cond-mat.mtrl-sci2023

Prediction and understanding of barocaloric effects in orientationally disordered materials from molecular dynamics simulations

Carlos Escorihuela-Sayalero, Luis Carlos Pardo, Michela Romanini +5

Due to its high energy efficiency and environmental friendliness, solid-state cooling based on the barocaloric (BC) effect represents a promising alternative to traditional refrige…

cond-mat.mtrl-sci2023★ 1 cited

Colossal room-temperature electrocaloric strength aided by hydrostatic pressure in lead-free multiferroic solid solutions

César Menéndez, Claudio Cazorla

Solid-state cooling applications based on the electrocaloric (EC) effect are particularly promising from a technological point of view due to their downsize scalability and natural…

cond-mat.mtrl-sci2023

Colossal reversible barocaloric effects in a plastic crystal mediated by lattice vibrations and ion diffusion

Ming Zeng, Carlos Escorihuela-Sayalero, Tamio Ikeshoji +8

Solid-state methods for cooling and heating promise a more sustainable alternative to current compression cycles of greenhouse gases and inefficient fuel-burning heaters. Barocalor…

cond-mat.mtrl-sci2023★ 11 cited

Excitonic Insulator to Superconductor Phase Transition in Ultra-Compressed Helium

Cong Liu, Ion Errea, Chris Pickard +8

Helium, the second most abundant element in the universe, exhibits an extremely large electronic band gap of about eV at low pressures ( GPa). While the metallization…

cond-mat.mtrl-sci2022

Universal ion-transport descriptors and classes of inorganic solid-state electrolytes

Cibrán López, Agustí Emperador, Edgardo Saucedo +2

Solid-state electrolytes (SSE) with high ion conductivity are pivotal for the development and large-scale adoption of green-energy conversion and storage technologies such as fuel…

cond-mat.mtrl-sci2022★ 1 cited

Strain engineering of two-dimensional piezo-photocatalytic materials for hydrogen production

Zhao Liu, Biao Wang, Claudio Cazorla

Low-dimensional transition metal dichalcogenides (TMDC) exhibit great photocatalytic performance and tunability. In this work, using first-principles simulations based on density f…