Evidence map›Paper›PMID 40986102›Full record

ArticleJournal of molecular modeling2025

Density functional theory study of Mg

Fei-Yu Chang, Mi Zhong, Zheng-Tang Liu, Qi-Jun Liu

Abstract read
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In one paragraph

Article in Journal of molecular modeling, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing 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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

4 authors.

Fei-Yu ChangBond and Band Engineering Group, School of Physical Science and Technology, Southwest Jiaotong University, Chengdu, 610031, People's Republic of China. changfeiyu1215@my.swjtu.edu.cn.
Mi ZhongSchool of Sciences, Southwest Petroleum University, Chengdu, 610500, People's Republic of China.
Zheng-Tang LiuState Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi'an, 710072, People's Republic of China.
Qi-Jun LiuBond and Band Engineering Group, School of Physical Science and Technology, Southwest Jiaotong University, Chengdu, 610031, People's Republic of China.

Funding

Fundamental Research Funds for the Central Universities 2682024ZTPY054, 2682025ZTPY013Sichuan Science and Technology Program 2024NSFSC1387the National Natural Science Foundation of China 62374139the Natural Science Starting Project of SWPU 2022QHZ006
6 · The paper itself

Abstract

contextDue to the limitations of existing p-type transparent conductive oxides (TCOs), this study aims to identify alternative p-type TCO materials with improved performance through first-principles calculations. The electronic, optical, and transport properties of Mg

methodFirst-principles calculations based on density functional theory and density functional perturbation theory were employed to execute all calculations in this work. The structural properties were optimized using GGA-PBE functionals, while HSE06 mixed functionals were used for accurate prediction of electronic band structures.

Indexed as

Band gapHole mobilityP-type TCOsTransparency

Identifiers

PMID40986102

What OpenQuestion holds

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Registered trials

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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.