Matheus P. Lima - Publications, H-index & Citations

Matheus P. Lima

federal university of sao carlos

17H指数

81论文数

870被引数

收录论文 45

发表时间

Combining DFT Calculations and Clustering Techniques to Screen Organic Monovalent Cations for Applications in Halide Perovskite Solar Cells 结合DFT计算和聚类技术筛选用于卤化物钙钛矿太阳能电池应用的有机单价阳离子

ACS Omega

IF4.3

2026-06-05

OAAI

Gabriel C. Bueno; Israel C. Ribeiro; Iván Ornelas-Cruz; Ronaldo C. Prati; Matheus P. Lima; Juarez L. F. Da Silva

Enhancing Surface Termination and Stability of Hybrid Halide Perovskites via Phosphonic Acid Passivation 通过膦酸钝化增强混合卤化物钙钛矿的表面终止和稳定性

ACS Omega

IF4.3

2026-04-28

OAAI

Israel C. Ribeiro; Iván Ornelas-Cruz; Felipe D. Picoli; Luiz N. Oliveira; Matheus P. Lima; Ana Flávia Nogueira; Juarez L. F. Da Silva

Theoretical Exploration of the Physical-Chemical Properties of Divalent (np2) Cation Mixing in Double Cs2AgBiBr6 Perovskite 双Cs2AgBiBr6钙钛矿中二价(np2)阳离子混合的物理化学性质理论研究

ACS Omega

IF4.3

2026-03-11

OAAI

Iván Ornelas-Cruz; Ramiro M. dos Santos; Matheus P. Lima; Juarez L. F. Da Silva

Unveiling the Interaction Between Fragments of ABX3 Halide Perovskite and Ti3C2F2 MXene Monolayer

j. mater. chem. a

IF0

2026-01-23

PREAI

Paulo Eduardo Zanni Jr; Lucas Guilherme Chagas; Rafael L. H. Freire; Juarez L. F. Da Silva; Matheus Paes Lima

Metal Defects in MAPbI3 Perovskites: Uncovering the Roles of Ni, Cu, Ag, and Au MAPbI3钙钛矿中的金属缺陷：揭示Ni、Cu、Ag和Au的作用

ACS OMEGA

IF4.3

2025-12-01

PREAI

Chagas, Lucas G.; de Morais, Andreia; Ribeiro, Israel C.; Brandao, Zeno C.; Marques, Francisco C.; dos Santos, Ramiro M.; Da Silva, Juarez L. F.; de Freitas, Jilian N.; Lima, Matheus P.

Theoretical and Experimental Insights into Transition Metal Single-Atom Adsorption Effects on Perovskite Surfaces 理论及实验对过渡金属单原子吸附效应对钙钛矿表面的影响的研究洞察

The Journal of Physical Chemistry C

IF3.2

2025-10-25

OAAI

Israel C. Ribeiro; Andreia de Morais; Lucas G. Chagas; Jilian N. de Freitas; Ramiro M. dos Santos; Matheus P. Lima; Juarez L. F. Da Silva

Computational Screening of 2D Transition Metal Halides for Optical Applications: The Role of Excitonic Effects 二维过渡金属卤化物的光学应用计算筛选：激子效应的作用

ACS Applied Energy Materials

IF5.5

2025-06-23

OAAI

Natan M. Regis; Juarez L. F. Da Silva; Matheus P. Lima

Theoretical investigation of the role of halide alloys in the optoelectronic and stability properties of perovskites: The example of Cs0 25MA0 25FA0 50Pb(X′xX1-x)3 卤化物合金在钙钛矿的光电和稳定性性质中的作用的理论研究：以Cs₀.₂₅MA₀.₂₅FA₀.₅₀Pb(X′ₓX₁₋ₓ)₃为例

APPLIED MATERIALS TODAY

IF6.9

2025-06-01

PREAI

dos Santos, Ramiro M.; Ornelas-Cruz, I.; Lima, Matheus P.; Da Silva, Juarez L. F.

Theoretical Investigation of Stacked Two-Dimensional Transition-Metal Dichalcogenide Materials: The Role of Chemical Species and Number of Monolayers

ACS OMEGA

IF4.3

2025-02-25

OAAI

Bracht, Jean M.; Querne, Mateus B. P.; Da Silva, Juarez L. F.; Lima, Matheus P.

Elucidating Black α-CsPbI3 Perovskite Stabilization via PPD Bication-Conjugated Molecule Surface Passivation: Ab Initio Simulations 通过PPD结合共轭分子表面钝化阐明黑色 α-CsPbI3钙钛矿的稳定性: 从头算模拟

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2024-07-18

OAAI

Gonzalez, Jose E.; Danelon, Joao G.; Da Silva, Juarez L. F.; Lima, Matheus P.

Tuning Excitonic Properties of Monochalcogenides via Design of Janus Structures

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-07-12

OAAI

Querne, Mateus B. P.; Dias, Alexandre C.; Janotti, Anderson; Da Silva, Juarez L. F.; Lima, Matheus P.

Ab initio investigation of the adsorption properties of molecules on MoS2 pristine and with sulfur vacancy

MATERIALS TODAY COMMUNICATIONS

IF4.5

2024-03-01

PREAI

Regis, Natan M.; Silva, Juarez L. F. Da; Lima, Matheus P.

Decoding Van der Waals Impact on Chirality Transfer in Perovskite Structures: Density Functional Theory Insights

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2024-02-13

PREAI

Gonzalez, Jose E.; Besse, Rafael; Lima, Matheus P.; Da Silva, Juarez L. F.

Role of Jahn-Teller distortion in the relative stability between the black and yellow phases of transition metal doped CsSnI3 perovskites

PHYSICAL REVIEW B

IF3.7

2024-01-26

PREAI

Chagas, Lucas G.; Da Silva, Juarez L. F.; Lima, Matheus P.

Cubic-to-hexagonal structural phase transition in metal halide compounds: a DFT study

JOURNAL OF MATERIALS CHEMISTRY A

IF9.5

2024-01-01

PREAI

Ornelas-Cruz, Ivan; dos Santos, Ramiro M.; Gonzalez, Jose E.; Lima, Matheus P.; Da Silva, Juarez L. F.

Crystal structure and electrical and optical properties of two-dimensional group-IV monochalcogenides

PHYSICAL REVIEW B

IF3.7

2023-08-07

OAAI

Querne, Mateus B. P.; Bracht, Jean M.; Da Silva, Juarez L. F.; Janotti, Anderson; Lima, Matheus P.

Theoretical Investigation of the Role of Mixed A+ Cations in the Structure, Stability, and Electronic Properties of Perovskite Alloys

ACS APPLIED ENERGY MATERIALS

IF5.5

2023-05-11

PREAI

dos Santos, Ramiro M.; Ornelas-Cruz, Ivan; Dias, Alexandre C.; Lima, Matheus P.; Da Silva, Juarez L. F.

The Role of M3+Substitutional Doping (M = In, Sb, Bi) in the Passivation of the α-CsPbI3(100) Surface

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2023-01-23

PREAI

Torres, Israel S.; Da Silva, Juarez L. F.; Lima, Matheus P.

Polaron-assisted electronic transport in ZnP2 nanowires

JOURNAL OF MATERIALS CHEMISTRY C

IF5.1

2023-01-01

PREAI

de Oliveira, F. M.; Cabral, L.; Villegas-Lelovsky, L.; Lima, Matheus P.; Aragon, F. F. H.; Marques, G. E.; Chiquito, A. J.; Teodoro, M. D.

Ab initio investigation of the interface between Mo10S24 nanoflakes and the Au(111) surface: Interplay between interaction energy and morphology

APPLIED SURFACE SCIENCE

IF6.9

2022-12-01

PREAI

Lima, Matheus P.; Caturello, Naidel A. M. S.; Silva, Juarez L. F. Da

研究方向