Evidence map›Paper›PMID 38338318›Full record

ArticleMolecules (Basel, Switzerland)2024

Theoretical Study of the NO Reduction Mechanism on Biochar Surfaces Modified by Li and Na Single Adsorption and OH Co-Adsorption.

Qiong Su, Fang Ren, Mengmeng Lu, Jinqin Zhao, Xingchen Zhu, Tao Shen, Yan Shen, Yanbin Wang, Junxi Liang

Abstract read

In one paragraph

Article in Molecules (Basel, Switzerland), 2024. 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

9 authors.

Qiong SuEngineering Research Center of Biomass-Functional Composite Materials of Gansu Province, College of Chemical Engineering, Northwest Minzu University, Lanzhou 730030, China.

Fang RenEngineering Research Center of Biomass-Functional Composite Materials of Gansu Province, College of Chemical Engineering, Northwest Minzu University, Lanzhou 730030, China.ORCID 0009-0009-3352-1906

Mengmeng LuEngineering Research Center of Biomass-Functional Composite Materials of Gansu Province, College of Chemical Engineering, Northwest Minzu University, Lanzhou 730030, China.ORCID 0009-0002-5748-0386

Jinqin ZhaoEngineering Research Center of Biomass-Functional Composite Materials of Gansu Province, College of Chemical Engineering, Northwest Minzu University, Lanzhou 730030, China.ORCID 0009-0007-1440-4478

Xingchen ZhuEngineering Research Center of Biomass-Functional Composite Materials of Gansu Province, College of Chemical Engineering, Northwest Minzu University, Lanzhou 730030, China.ORCID 0009-0002-2739-6650

Tao ShenEngineering Research Center of Biomass-Functional Composite Materials of Gansu Province, College of Chemical Engineering, Northwest Minzu University, Lanzhou 730030, China.

Yan ShenCollege of Materials Science and Engineering, Nanjing Tech University, Nanjing 211800, China.

Yanbin WangEngineering Research Center of Biomass-Functional Composite Materials of Gansu Province, College of Chemical Engineering, Northwest Minzu University, Lanzhou 730030, China.

Junxi LiangEngineering Research Center of Biomass-Functional Composite Materials of Gansu Province, College of Chemical Engineering, Northwest Minzu University, Lanzhou 730030, China.ORCID 0000-0002-4590-1086

Funding

Basic scientific research expenses for the central universities 31920230003, 31920230022, 31920230023, and 31920220063National Natural Science Foundation of China 21968032, 22165025Provincial first-class professional construction 2019SJYLZY-08The Chemistry Discipline Innovation Team of Northwest Minzu University 1110130139, 1110130141The Innovation and Entrepreneurship Education Reform Project of Gansu Provincial School of Higher Education 2021SJCXCYXM-01, 2021SJCXCYTD-01

6 · The paper itself

Abstract

Theoretical and experimental investigations have shown that biochar, following KOH activation, enhances the efficiency of NO removal. Similarly, NaOH activation also improves NO removal efficiency, although the underlying mechanism remains unclear. In this study, zigzag configurations were employed as biochar models. Density functional theory (DFT) was utilized to examine how Li and Na single adsorption and OH co-adsorption affect the reaction pathways of NO reduction on the biochar surface. The rate constants for all reaction-determining steps (RDSs) within a temperature range of 200 to 1000 K were calculated using conventional transition state theory (TST). The results indicate a decrease in the activation energy for NO reduction reactions on biochar when activated by Li and Na adsorption, thus highlighting their beneficial role in NO reduction. Compared to the case with Na activation, Li-activated biochar exhibited superior performance in terms of the NO elimination rate. Furthermore, upon the adsorption of the OH functional group onto the Li-decorated and Na-decorated biochar models (LiOH-decorated and NaOH-decorated chars), the RDS energy barriers were higher than those of Li and Na single adsorption but easily overcome, suggesting effective NO reduction. In conclusion, Li-decorated biochar showed the highest reactivity due to its low RDS barrier and exothermic reaction on the surface.

Indexed as

biochardensity functional theoryNO reduction

Identifiers

PMID38338318

DOI10.3390/molecules29030574

PMCPMC10856491

What OpenQuestion holds

Textmetadata

LicenceCC BY

Read underepoch 390

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.