Výsledky vyhledávání - "Ipaves, Bruno"

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Machine Learning-based Analysis of Electronic Properties as Predictors of Anticholinesterase Activity in Chalcone Derivatives

Autor: Buzelli, Thiago, Ipaves, Bruno, Almeida, Wanda Pereira, Galvao, Douglas Soares, Autreto, Pedro Alves da Silva

In this study, we investigated the correlation between the electronic properties of anticholinesterase compounds and their biological activity. While the methodology of such correlation is well-established and has been effectively utilized in previou

Externí odkaz: http://arxiv.org/abs/2309.07312

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Doped 2D diamond: properties and applications

Autor: Ipaves, Bruno, Justo, João F., Sanyal, Biplab, Assali, Lucy V. C.

In the present paper, we investigate the structural, thermodynamic, dynamic, elastic, and electronic properties of doped 2D diamond C$_4$X$_2$ (X = B or N) nanosheets in both AA$'$A$''$ and ABC stacking configurations, by first-principles calculation

Externí odkaz: http://arxiv.org/abs/2308.00124

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Aluminum functionalized silicene: a potential anode material for alkali metal ion batteries

Autor: Ipaves, Bruno, Justo, João F., Assali, Lucy V. C.

We have investigated the possibility of using aluminum functionalized silicene trilayers (ABC-Si$_4$Al$_2$) as an anode material for alkali metal ion batteries (AMIBs). First, we studied the thermodynamic stability of ABC-Si$_4$Al$_2$ using ab-initio

Externí odkaz: http://arxiv.org/abs/2206.09079

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Functionalized few-layer silicene nanosheets: density functional theory on stability, structural, and electronic properties

Autor: Ipaves, Bruno, Justo, João F., Assali, Lucy V. C.

Using density functional theory calculations, we investigated the properties of few-layer silicene nanosheets, namely bilayers and trilayers, functionalized with group-III or group-V atoms of the periodic table. We considered the Si$_2$X$_2$ bilayers

Externí odkaz: http://arxiv.org/abs/2111.07694

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