Cu-modified B12N12 nanocage as a chemical sensor for nitrogen monoxide gas: a density functional theory study.

Autor: de Sousa Sousa, Natanael¹ (AUTHOR), Silva, Adilson Luís Pereira^1,2 (AUTHOR), Silva, Augusto Cesar Azevedo³ (AUTHOR), de Jesus Gomes Varela Júnior, Jaldyr¹ (AUTHOR) jaldyr.varela@ufma.br

Publikováno v: Journal of Nanoparticle Research. Dec2023, Vol. 25 Issue 12, p1-19. 19p.

DFT Analysis of Structural, Energetic and Electronic Properties of Doped, Encapsulated, and Decorated First-Row Transition Metals on B12N12 Nanocage: Part 1.

Autor: De Sousa Sousa, Natanael, Silva, Adilson Luís Pereira, Silva, Augusto César Azevedo, de Jesus Gomes Varela Júnior, Jaldyr

Publikováno v: Journal of Inorganic & Organometallic Polymers & Materials; Sep2024, Vol. 34 Issue 9, p4082-4099, 18p

Theoretical studies with B12N12 as a toxic gas sensor: a review.

Autor: Silva, Adilson Luís Pereira^1,2 (AUTHOR), de Sousa Sousa, Natanael² (AUTHOR), de Jesus Gomes Varela Júnior, Jaldyr² (AUTHOR) jaldyr.varela@ufma.br

Publikováno v: Journal of Nanoparticle Research. Jan2023, Vol. 25 Issue 1, p1-15. 15p.

Advances in Selective Detection of Cadaverine by Electronic, Optical, and Work Function Sensors Based on Cu-Modified B 12 N 12 and Al 12 N 12 Nanocages: A Density Functional Theory (DFT) Study.

Autor: de Sousa Sousa N; Universidade Federal do Maranhão, 65080-805, São Luís, MA, Brazil., Pereira Silva R; Universidade Federal do Maranhão, 65080-805, São Luís, MA, Brazil., de Jesus Gomes Varela Júnior J; Universidade Federal do Maranhão, 65080-805, São Luís, MA, Brazil., Pereira Maciel A; Universidade Federal do Maranhão, 65080-805, São Luís, MA, Brazil.

Publikováno v: Langmuir : the ACS journal of surfaces and colloids [Langmuir] 2024 Nov 05; Vol. 40 (44), pp. 23310-23323. Date of Electronic Publication: 2024 Oct 22.