Evidence map›Paper›PMID 41803474›Full record

ArticleJournal of molecular modeling2026

Halide-driven tuning of structural, electronic, and optical properties in lead-free K

Abdelmounaim Laassouli, Mohamed Karouchi, Abdelkebir Ejjabli, Aymane El Haji, Hamza Errahoui, Khalid Rahmani, Youssef Lachtioui, Omar Bajjou

Abstract read
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Article in Journal of molecular modeling, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

8 authors.

Abdelmounaim LaassouliLaboratory of Engineering in Chemistry and Physics of Matter Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000, Beni Mellal, Morocco. abdelmounaim.laassouli@gmail.com.
Mohamed KarouchiLaboratory of Engineering in Chemistry and Physics of Matter Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000, Beni Mellal, Morocco.
Abdelkebir EjjabliLaboratory of Engineering in Chemistry and Physics of Matter Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000, Beni Mellal, Morocco.
Aymane El HajiLaboratory of Engineering in Chemistry and Physics of Matter Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000, Beni Mellal, Morocco.
Hamza ErrahouiLaboratory of Engineering in Chemistry and Physics of Matter Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000, Beni Mellal, Morocco.
Khalid RahmaniDepartment of Physics, Faculty of Sciences, LPHE-MS, Mohammed V University, Rabat, Morocco.
Youssef LachtiouiLaboratory of Engineering in Chemistry and Physics of Matter Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000, Beni Mellal, Morocco.
Omar BajjouLaboratory of Engineering in Chemistry and Physics of Matter Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000, Beni Mellal, Morocco.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

contextLead-free double perovskites are actively explored as environmentally benign alternatives to lead-based halide perovskites for optoelectronic applications. In this work, the influence of halide substitution (X = I, Br, Cl) on the structural, mechanical, electronic, and optical properties of cubic K

methodsFirst-principles density functional theory calculations were performed using the CASTEP code. Structural optimization and ground-state properties were obtained using the rSCAN meta-GGA functional, while electronic band structures were refined using the HSE06 hybrid functional. Ultrasoft pseudopotentials generated within the on-the-fly scheme were employed with a plane-wave cutoff energy of 500 eV and a Γ-centered 4 × 4 × 4 Monkhorst-Pack k-point mesh. Elastic properties were evaluated via the Voigt-Reuss-Hill approach, phonon dispersions were calculated using density-functional perturbation theory, and frequency-dependent optical properties were derived from the complex dielectric function.

Indexed as

DFTElectronic propertiesHalide substitutionK2AgSbX6Optical propertiesSolar cellsStructural properties

Identifiers

PMID41803474

What OpenQuestion holds

Textmetadata
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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.