Evidence map›Paper›PMID 40129641›Full record

ArticleRSC advances2025

DFT study on Al/Sn-decorated arsenene: chemical bonding and adsorption of hexanal.

Iltaf Muhammad, Muhammad Mushtaq, Zhang Leilei, Muhammad Abdul Rauf Khan, Kanwal Qasim, Maryam Sabir, Shaimaa A M Abdelmohsen, Meznah M Alanazi, Amel Laref, N M A Hadia

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Article in RSC advances, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

3 citing papers in PubMed.

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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

10 authors.

Iltaf MuhammadSchool of Mechanical and Electrical Engineering, Hainan Vocational University of Science and Technology Haikou 571126 China.
Muhammad MushtaqDepartment of Physics, University of Poonch Rawalakot Rawalakot 12350 Pakistan mushtaq325@gmail.com.ORCID https://orcid.org/0000-0001-5496-2836
Zhang LeileiInstitute of Nano-Structured Functional Materials, Huanghe Science and Technology College Zhengzhou 450063 P. R. China.
Muhammad Abdul Rauf KhanDepartment of Physics, University of Poonch Rawalakot Rawalakot 12350 Pakistan mushtaq325@gmail.com.
Kanwal QasimDepartment of Physics, University of Poonch Rawalakot Rawalakot 12350 Pakistan mushtaq325@gmail.com.
Maryam SabirDepartment of Physics, University of Poonch Rawalakot Rawalakot 12350 Pakistan mushtaq325@gmail.com.
Shaimaa A M AbdelmohsenDepartment of Physics, College of Science, Princess Nourah bint Abdulrahman University P. O. Box 84428 Riyadh 11671 Saudi Arabia.
Meznah M AlanaziDepartment of Physics, College of Science, Princess Nourah bint Abdulrahman University P. O. Box 84428 Riyadh 11671 Saudi Arabia.
Amel LarefPhysics Department, College of Science, King Saud University Riyadh Riyadh Province 11451 Saudi Arabia.ORCID https://orcid.org/0000-0003-1689-7724
N M A HadiaPhysics Department, College of Science, Jouf University P. O. Box 2014 Sakaka Al-Jouf Saudi Arabia.ORCID https://orcid.org/0000-0001-6133-546X

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Herein, DFT calculations were performed to investigate various properties of Al/Sn-decorated arsenene, including its electronic structure, magnetism, and hexanal sensing. Three main systems were examined: pristine arsenene (p-As), aluminum (Al)-decorated arsenene (Al-As), and tin (Sn)-decorated arsenene (Sn-As). Results showed that both decorated systems exhibit magnetism in the ground state. The introduction of Al/Sn atoms significantly alters the electronic structure of arsenene by inducing defect-level states within the band gap. Al-As showed metallic characteristics, and Sn-As exhibited a small band gap. The strength and nature of chemical bonding between the X (X = Al and Sn) and As atoms were evaluated using COHP and ELF analysis. It was found that the X-As bond exhibited a mixed covalent and ionic character. Finally, the adsorption of a volatile organic compound (VOC), hexanal (HL), was investigated. We found that HL was weakly adsorbed on p-As and Sn-As. However, chemisorption was observed on Al-As due to a significant charge transfer through p-p overlapping. Thus, Al-As can be considered a promising candidate for HL sensing.

Identifiers

PMID40129641
PMCPMC11931503

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