Publications by authors named "Matheus P Lima"

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Metal Defects in MAPbI Perovskites: Uncovering the Roles of Ni, Cu, Ag, and Au.
Lucas G Chagas, Andreia de Morais, Israel C Ribeiro, Zeno C Brandão, Francisco C Marques, Matheus P Lima

ACS Omega· December 2025

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Theoretical Investigation of Stacked Two-Dimensional Transition-Metal Dichalcogenide Materials: The Role of Chemical Species and Number of Monolayers.
Jean M Bracht, Mateus B P Querne, Juarez L F Da Silva, Matheus P Lima

ACS Omega· March 2025

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Elucidating Black α-CsPbI Perovskite Stabilization via PPD Bication-Conjugated Molecule Surface Passivation: Ab Initio Simulations.
José E González, João G Danelon, Juarez L F Da Silva, Matheus P Lima

ACS Appl Mater Interfaces· July 2024

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Tuning Excitonic Properties of Monochalcogenides via Design of Janus Structures.
Mateus B P Querne, Alexandre C Dias, Anderson Janotti, Juarez L F Da Silva, Matheus P Lima

J Phys Chem C Nanomater Interfaces· July 2024

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Contrasting the stability, octahedral distortions, and optoelectronic properties of 3D MABX and 2D (BA)(MA)BX (B = Ge, Sn, Pb; X = Cl, Br, I) perovskites.
João G Danelon, Ramiro M Santos, Alexandre C Dias, Juarez L F Da Silva, Matheus P Lima

Phys Chem Chem Phys· March 2024

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Decoding Van der Waals Impact on Chirality Transfer in Perovskite Structures: Density Functional Theory Insights.
José E González, Rafael Besse, Matheus P Lima, Juarez L F Da Silva

J Chem Inf Model· February 2024

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Ab initio investigation of topological phase transitions induced by pressure in trilayer van der Waals structures: the example of h-BN/SnTe/h-BN.
Matheus P Lima, Rafael Besse, Juarez L F Da Silva

J Phys Condens Matter· January 2021

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Spatial anisotropy of the quantum spin liquid system YbMgGaO revealed by ab initio calculations.
Matheus P Lima

J Phys Condens Matter· January 2020

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The role played by the molecular geometry on the electronic transport through nanometric organic films.
Matheus P Lima, R H Miwa, A Fazzio

Phys Chem Chem Phys· November 2019

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Edge, size, and shape effects on WS, WSe, and WTe nanoflake stability: design principles from an ab initio investigation.
Augusto C H Da Silva, Naidel A M S Caturello, Rafael Besse, Matheus P Lima, Juarez L F Da Silva

Phys Chem Chem Phys· October 2019

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Electronic transport properties of MoS nanoribbons embedded in butadiene solvent.
Armando Pezo, Matheus P Lima, Marcio Costa, Adalberto Fazzio

Phys Chem Chem Phys· June 2019

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Tuning the Magnetic Properties of FeCo Thin Films through the Magnetoelastic Effect Induced by the Au Underlayer Thickness.
Luís Cabral, Fermin H Aragón, Leonardo Villegas-Lelovsky, Matheus P Lima, Waldemar A A Macedo

ACS Appl Mater Interfaces· January 2019

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Double-walled silicon nanotubes: an ab initio investigation.
Matheus P Lima

Nanotechnology· February 2018

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Simple implementation of complex functionals: scaled self-consistency.
Matheus P Lima, Luana S Pedroza, Antonio J R da Silva, A Fazzio, Daniel Vieira

J Chem Phys· April 2007

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