Evidence map›Paper›PMID 36903215›Full record

ArticleMaterials (Basel, Switzerland)2023

First Principles Calculation of Adsorption of Water on MgO (100) Plane.

Bin Li, Hongqiang Chen, Jisheng Feng, Qiao Ma, Junhong Chen, Bo Ren, Shu Yin, Peng Jiang

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In one paragraph

Article in Materials (Basel, Switzerland), 2023. 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. Dissolution, diffusion, and precipitation of MgMaterials and structures · 2026
    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.

Bin LiSchool of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, China.ORCID 0000-0002-9187-6432
Hongqiang ChenSchool of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, China.
Jisheng FengZibo City Luzhong Refractory Co., Ltd., Zibo 255000, China.
Qiao MaZibo City Luzhong Refractory Co., Ltd., Zibo 255000, China.
Junhong ChenSchool of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, China.
Bo RenSchool of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, China.ORCID 0000-0003-2642-6336
Shu YinInstitute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan.ORCID 0000-0002-5449-4937
Peng JiangSchool of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, China.

Funding

Major Science and Technology Innovation Project of Shandong Provincem 2019JZZY010359National Nature Science Foundation of China 51874027National Nature Science Foundation of China 51902018
6 · The paper itself

Abstract

The hydration reaction seriously affects the quality and performance of MgO-based products. The final analysis showed that the problem is the surface hydration of MgO. By studying the adsorption and reaction of water molecules on the surface of MgO, we can understand the nature of the problem from the root cause. In this paper, first-principles calculations are performed on the crystal plane of MgO (100) to study the influence of the different orientation, sites and coverage of water molecules on the surface adsorption. The results show that the adsorption sites and orientations of monomolecular water has no effect on the adsorption energy and adsorption configuration. The adsorption of monomolecular water is unstable, with almost no charge transfer, belonging to the physical adsorption, which implies that the adsorption of monomolecular water on MgO (100) plane will not lead to the dissociation of water molecule. When the coverage of water molecules exceeds 1, water molecules will dissociate, and the population value between Mg and O

Indexed as

adsorptionfirst-principles calculationsMgOsurface structure

Identifiers

PMID36903215
PMCPMC10003884

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