Evidence map›Paper›PMID 42852244›Full record

ArticleACS omega2026

Computational Design of Three-Dimensional Nitrogenated Holey Graphene Structures with Phase-Dependent Optoelectronic Properties.

Jhionathan de Lima, Raphael M Tromer, Luiz F C Pereira, Mauro S Ferreira, Cristiano F Woellner

Abstract read
In one paragraph

Article in ACS omega, 2026. 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

5 authors.

Jhionathan de LimaDepartment of Physics, Federal University of Parana, UFPR, Curitiba, Parana 81531-980, Brazil.ORCID https://orcid.org/0000-0003-2404-7789
Raphael M TromerInstitute of Physics, University of Brasília, Brasília, Federal District 70910-900, Brazil.ORCID https://orcid.org/0000-0002-6180-5641
Luiz F C PereiraPhysics Department, Federal University of Pernambuco Recife, Recife, Pernambuco 50670-901, Brazil.ORCID https://orcid.org/0000-0001-7119-4816
Mauro S FerreiraSchool of Physics, Trinity College Dublin, Dublin 2 D02 PN40, Ireland.
Cristiano F WoellnerDepartment of Physics, Federal University of Parana, UFPR, Curitiba, Parana 81531-980, Brazil.ORCID https://orcid.org/0000-0002-0022-1319

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In this work, we propose and comprehensively characterize two novel three-dimensional nitrogenated holey graphene (3D-NHG) structures, designated as the α and β phases. These architectures are predicted through a computational protocol based on the controlled compression of stacked 2D-NHG monolayers. Their dynamical and structural stabilities are assessed via phonon dispersion calculations and molecular dynamics simulations within the density-functional tight-binding framework. Density functional theory calculations reveal that the α phase is a semiconductor with an indirect HSE06 bandgap of 0.87 eV, whereas the β phase exhibits a zero-gap semiconducting character. Furthermore, optical calculations reveal strong absorption in the ultraviolet region, with negligible absorption throughout the visible range. These findings highlight the potential of 3D-NHG architectures as a versatile platform for tailoring the electronic and optical properties of carbon nitride frameworks for future optoelectronic applications.

Identifiers

PMID42852244
PMCPMC13647830

What OpenQuestion holds

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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.