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'Fraternal-twin' ferroelectricity: competing polar states in hydrogen-doped samarium nickelate from first principles

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Green hydrogen production using Shewanella oneidensis MR-1 bioanode and cuprous oxide-based photocathode

Michele Morgante

In recent years, many efforts have been made to find alternative renewable energy sources that can ideally replace the use of fossil fuels in all aspects. One of the new emerging energy technologies is the bioelectrochemical system, of which two types are ...

EPFL2024

Band Gap Renormalization at Different Symmetry Points in Perovskites

Majed Chergui, Lijie Wang

Using ultrafast broad-band transient absorption (TA) spectroscopy of photoexcited MAPbBr3 thin films with probe continua in the visible and the mid- to deep-ultraviolet (UV) ranges, we capture the ultrafast renormalization at the fundamental gap at the R s ...

Amer Chemical Soc2024

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Dynamic nuclear polarisation (DNP) of solids doped with high-spin metal ions, such as Gd3+, is a useful strategy to enhance the nuclear magnetic resonance (NMR) sensitivity for these samples. Spin diffusion can relay polarisation throughout a sample, which ...

ACADEMIC PRESS INC ELSEVIER SCIENCE2023

Critical line of the triangular Ising antiferromagnet in a field from a C3-symmetric corner transfer matrix algorithm

Frédéric Mila, Samuel Louis Nyckees, Afonso Dos Santos Rufino, Jeanne Colbois

The corner transfer matrix renormalization group (CTMRG) algorithm has been extensively used to investigate both classical and quantum two-dimensional (2D) lattice models. The convergence of the algorithm can strongly vary from model to model depending on ...

College Pk2023

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Molecules with inversion of the singlet and triplet excited-state energies are highly promising for the development of organic light-emitting diodes (OLEDs). To date, azaphenalenes are the only class of molecules where these inversions have been identified ...

2023

Quasi-symmetry-protected topology in a semi-metal

Philip Johannes Walter Moll, Matthias Carsten Putzke, Yi-Chiang Sun, Chunyu Guo, Xiangwei Huang, Jonas De Jesus Diaz Gomez

The concept of quasi-symmetry-a perturbatively small deviation from exact symmetry-is introduced and leads to topological materials with strong resilience to perturbations. The crystal symmetry of a material dictates the type of topological band structure ...

NATURE PORTFOLIO2022

On the non-existence of stepped-pressure equilibria far from symmetry

Joaquim Loizu Cisquella

The Stepped Pressure Equilibrium Code (SPEC) (Hudson et al 2012 Phys. Plasmas 19 112502) has been successful in the construction of equilibria in 3D configurations that contain a mixture of flux surfaces, islands and chaotic magnetic field lines. In this m ...

2021

Background: The increasingly common applications of machine-learning schemes to atomic-scale simulations have triggered efforts to better understand the mathematical properties of the mapping between the Cartesian coordinates of the atoms and the variety o ...

2021

In this paper, we verify the large scale structure consistency relations using N-body simulations, including modes in the highly nonlinear regime. These relations (pointed out by Kehagias & Riotto and Peloso & Pietroni) follow from the symmetry of the dyna ...

AMER PHYSICAL SOC2019

Mechanistic study of the photo‐generation of hydrogen by decamethylruthenocene

Hubert Girault, Pekka Eero Peljo, Manuel Alejandro Méndez Agudelo, Heron Vrubel, Micheal Diarmaid Scanlon, Laurent Alexis Clément Vannay, Sunny Isaïe Maye, Lucie Josette Renée Rivier

Hydrogen evolution by decamethylruthenocene (Cp*2RuII) was studied in detail highlighting that metallocenes are capable of photo‐reducing hydrogen without the need of an additional sensitizer. Electrochemical, gas chromatographic and spectroscopic (UV/vis, ...

2019