4.6 Article

Photoluminescence activity of Ba1-xCaxTiO3: dependence on particle size and morphology

Journal

JOURNAL OF MATERIALS CHEMISTRY C
Volume 2, Issue 34, Pages 7056-7070

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c4tc00897a

Keywords

-

Funding

  1. FAPESP/CEPID [2013/07296-2]
  2. CNPq [573636/2008-7]
  3. INCTMN [2008/57872-1]

Ask authors/readers for more resources

It was shown that the higher photoluminescence emission of Ba1-xCaxTiO3 titanates is associated with the substitution of Ba by Ca, for the composition x = 0.75, which interferes with structural ordering, morphology and particle growth. Although the XRD data of this sample showed that the crystals do not exhibit long range order, FTIR, Raman and XPS confirmed the presence of Ti-O bonds in this sample, indicating the particle nucleation of titanates, but without growth and maintaining only short range order. These nanoparticles show perturbations in the symmetry of the unit cell, causing structural distortions, which result in changes in their electronic structure of atoms, destabilizing the whole lattice. This fact gives rise to points of intrinsic defects, changing the intermediate levels in the band gap, subsequently adding to the population of charge carriers and, consequently, radiative recombination with higher photoluminescence emission.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.6
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

Article Fisheries

Transport of killifish Hypsolebias flagellatus: effects of salt use and previous feeding in association with transport time

Camila Oliveira Paranhos, Luanna do Carmo Neves, Walisson Souza e Silva, Ronald Kennedy Luz

Summary: The aim of this study was to evaluate the survival and water quality of Hypsolebias flagellatus during transportation with different salt concentrations, transport times, and previous diets. The results showed that the concentration of 4 g salt/L had the highest dissolved oxygen, and the survival rate was lower after 48 hours of transportation. Meanwhile, the type of diet also had an influence on water quality and dissolved oxygen.

JOURNAL OF APPLIED AQUACULTURE (2023)

Article Chemistry, Analytical

β-Cyclodextrin PAMAM Dendrimer Surface Doped with Silver and Hexacyanoferrate (III) and its Applications for Dopamine Detection in Synthetic Samples

Priscila Fernanda Pereira Barbosa, Valmor Roberto Mastelaro, Eduardo Guimaraes Vieira, Devaney Ribeiro do Carmo

Summary: A synthesis method for the functionalization of beta-cyclodextrin (beta-Cd) with polyamide dendrimer PAMAM G.0 and the formation of a mixed-valence complex (beta-Cd-PAMAM-Ag/Fe) with silver and potassium hexacyanoferrate (III) was proposed. The material was characterized using SEM, FTIR, XRD, EDS, and EPR. The electrochemical behavior of the hybrid complex was investigated, and optimal analytical responses were obtained by evaluating various parameters. The beta-Cd-PAMAM-Ag/Fe material showed successful application in the electrocatalytic oxidation of dopamine using CV and SWV.

ELECTROANALYSIS (2023)

Article Materials Science, Ceramics

Fast synthesis of NaNbO3 nanoparticles with high photocatalytic activity for degradation of organic dyes

Daiane Fernandes, Mateus M. Ferrer, Cristiane W. Raubach, Mario L. Moreira, Pedro L. G. Jardim, Eduardo Ceretta Moreira, Carlos F. O. Graeff, Sergio S. Cava

Summary: NaNbO3 nanoparticles were synthesized using microwave-assisted hydrothermal method and heat treatment. The crystallinity and particle shape of the nanoparticles were modulated by heat treatment. The obtained nanoparticles showed excellent photocatalytic activity.

JOURNAL OF THE AMERICAN CERAMIC SOCIETY (2023)

Article Plant Sciences

Interchangeable cross-tolerance induced by waterlogging and herbicides in soybean plants

Mauro Mesko Rosa, Renan Souza Silva, Marcus Vinicius Fipke, Raul Andres Cordova, Nelson Diehl Kruse, Edinalvo Rabaioli Camargo, Gustavo Maia Souza, Luis Antonio de Avila

Summary: Plants exposed to suboptimal environmental conditions often have reduced crop yields, but pre-exposure to mild stress can prepare plants for subsequent challenges. This study investigated the effects of herbicide sub-doses on oxidative stress caused by waterlogging and the potential for waterlogging to mitigate herbicide injury in soybean crops. The results showed that early exposure to a sub-dose of oxyfluorfen enhanced the plants' ability to tolerate waterlogging, while pre-treatment with the herbicide paraquat did not have significant effects. Additionally, pre-exposure to waterlogging reduced the damage caused by herbicides, suggesting the existence of cross-tolerance between herbicides and waterlogging in soybean plants.

ACTA PHYSIOLOGIAE PLANTARUM (2023)

Article Chemistry, Physical

Surface-dependent properties and morphological transformations of rutile GeO2 nanoparticles

Jose A. S. Laranjeira, Sergio A. Azevedo, Guilherme S. L. Fabris, Anderson R. Albuquerque, Mateus M. Ferrer, Julio R. Sambrano

Summary: This study investigates the surface-dependent properties and morphological transformation routes of rutile germanium dioxide using density functional theory and the Wulff construction procedure. The results show that different coordination breakages on the outermost polyhedra are related to various factors such as atomic charges, band gap, stability, and Fermi energy. Additionally, cubic, octahedral, or hexadecahedral morphologies of rutile germanium dioxide have potential photocatalytic activity for hydrogen production.

APPLIED SURFACE SCIENCE (2023)

Article Polymer Science

Dielectric, electric, and piezoelectric properties of three-phase piezoelectric composite based on castor-oil polyurethane, lead zirconate titanate particles and multiwall carbon nanotubes

Fernando C. M. Freire Filho, Josiane A. Santos, Alex O. Sanches, Eliton S. Medeiros, Jose A. Malmonge, Michael J. Silva

Summary: The effects of multiwall carbon nanotubes (MWCNTs) on the electrical, dielectric, and piezoelectric properties of the ferroelectric ceramic/castor-oil polyurethane (PUR) composite films were investigated. The addition of MWCNTs significantly enhanced the electrical and piezoelectric properties of the composite films by acting as conductive bridges between the lead zirconate titanate (PZT) particles. The dispersion of MWCNT nanoparticles also improved the poling effectiveness and increased the d(33) coefficient of the three-phase piezoelectric composites.

JOURNAL OF APPLIED POLYMER SCIENCE (2023)

Article Chemistry, Physical

The photocatalytic performance of Fe inserted in Nb2O5 obtained by microwave-assisted hydrothermal synthesis: Factorial design of experiments

Catia Liane Ucker, Vitor Goetzke, Fabio Calcagno Riemke, Marcely Echeverria Oliveira, Neftali Lenin Villarreal Carreno, Fernando Dal Pont Morisso, Marcio Daldin Teodoro, Valmor R. Mastelaro, Mario Lucio Moreira, Cristiane Wienke Raubach, Sergio da Silva Cava

Summary: In this study, Nb2O5 inserted with Fe was synthesized using the microwave-assisted hydrothermal method. The insertion of Fe promoted the formation of pores and decreased the band gap of Nb2O5. The 1%Fe-Nb2O5 sample showed the best photocatalytic discoloration result. The increase in ion concentration led to a decrease in photocatalytic performance. The factorial design experiment revealed the significant effects of catalyst type, catalyst dosage, pH, and reaction time on the degradation of RhB.

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2023)

Article Chemistry, Multidisciplinary

Study of CaTiO3-ZnS heterostructure obtained by microwave-assisted solvothermal synthesis and its application in photocatalysis

Catia L. Ucker, Suelen R. Almeida, Renato G. Cantoneiro, Lisiane O. Diehl, Sergio Cava, Mario L. Moreira, Elson Longo, Cristiane W. Raubach

Summary: In this study, a calcium titanate-zinc sulfide heterostructure was successfully assembled using a microwave-assisted solvothermal method. The heterostructure showed enhanced photocatalytic activity for the degradation of organic dyes, making it a promising candidate for water decontamination.

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2023)

Article Materials Science, Ceramics

Tungsten gallium-phosphate glasses as promising intrinsic scintillators

Thiago A. Lodi, Gustavo Galleani, Leonnam G. Merizio, Luiz G. Jacobsohn, Valmor R. Mastelaro, Andrea S. de Camargo

Summary: NaPO3-20Ga(2)O(3)-xNa(2)WO(4) (x = 0, 1, 3, 5 and 10% mol) tungsten gallium-phosphate glasses were synthesized and evaluated as potential intrinsic glass scintillators due to their high chemical stability and excellent optical properties. Increasing Na2WO4 content led to a decrease in OH- groups and the presence of sole W6+ species. The glasses exhibited high transmittance (around 90%) over a wide spectral range (400 to 2500 nm) and luminescence emission characteristic of the WO42- complex with average lifetimes ranging from 32 to 20 μs. Cryogenic temperatures resulted in a significant increase in luminescence emission for the NaPGaW glasses.

JOURNAL OF NON-CRYSTALLINE SOLIDS (2023)

Article Chemistry, Multidisciplinary

Injectable Thermosensitive Nanocomposites Based on Poly(N-vinylcaprolactam) and Silica Particles for Localized Release of Hydrophilic and Hydrophobic Drugs

Lucas S. Ribeiro, Renata L. Sala, Thaiane A. Robeldo, Ricardo C. Borra, Emerson R. Camargo

Summary: Conventional systemic drug delivery methods are less effective compared to localized delivery systems. This study developed thermoresponsive nanocomposites based on poly(N-vinylcaprolactam) and silica particles for efficient and controlled release of hydrophobic and hydrophilic drugs. The nanocomposites exhibited improved rheological properties and prevented diffusion away from the injection site. The synthesized materials achieved controlled drug release for 7 days and showed promising inhibitory effects on carcinoma cells while being non-toxic to healthy cells.

LANGMUIR (2023)

Article Chemistry, Physical

Ti-15Zr and Ti-15Zr-5Mo Biomaterials Alloys: An Analysis of Corrosion and Tribocorrosion Behavior in Phosphate-Buffered Saline Solution

Adriana Alencar Santos, Jean Valdir Uchoa Teixeira, Carlos Alberto Fonzar Pintao, Diego Rafael Nespeque Correa, Carlos Roberto Grandini, Paulo Noronha Lisboa-Filho

Summary: Developing novel titanium alloys suitable for long-term use in orthopedic and dental prostheses is crucial for clinical needs to prevent adverse implications and costly procedures. This study investigated the corrosion and tribocorrosion behavior of two recently developed titanium alloys, Ti-15Zr and Ti-15Zr-5Mo, and compared them with CP-Ti G4. The results showed that Ti-15Zr and Ti-15Zr-5Mo exhibited advantageous properties in the electrochemical and tribocorrosion tests compared to CP-Ti G4, indicating the potential for biomedical applications.

MATERIALS (2023)

Article Engineering, Biomedical

The Local Release of Teriparatide Incorporated in 45S5 Bioglass Promotes a Beneficial Effect on Osteogenic Cells and Bone Repair in Calvarial Defects in Ovariectomized Rats

Juliani Caroline Ribeiro de Araujo, Leonardo Alvares Sobral Silva, Vinicius Almeida de Barros Lima, Tiago Moreira Bastos Campos, Paulo Noronha Lisboa Filho, Roberta Okamoto, Luana Marotta Reis de Vasconcellos

Summary: With increasing life expectancy, the prevalence of osteoporosis has risen, leading to a search for strategies to regenerate bone tissue. The sonochemical technique was used to functionalize bioglass, resulting in modified surface characteristics. In vitro tests showed favorable cell adhesion and differentiation, with no cytotoxicity observed. Animals treated with teriparatide demonstrated new bone formation, indicating positive effects on bone tissue. Further studies are required to investigate the long-term effects of the interaction between bioglass and teriparatide.

JOURNAL OF FUNCTIONAL BIOMATERIALS (2023)

Article Materials Science, Multidisciplinary

Study of electrodeposition of titanium oxide with addition of magnesium on titanium substrate with constant current

Guilherme Ribeiro Capelin, Milena Yumi Kasama Nakata, Jean Valdir Uchoa Teixeira, Adriana Alencar Santos, Paulo Noronha Lisboa Filho

Summary: Currently, the titanium substrate is a widely used metallic biomaterial in various medical fields. However, its biological inertness and low bactericidal capacity limit its osseointegration ability. This study aims to analyze the corrosion resistance, surface morphology, and crystallinity of titanium oxide and titanium oxide with addition of magnesium coatings on a titanium substrate through electrodeposition.

MATERIA-RIO DE JANEIRO (2023)

Article Biochemistry & Molecular Biology

Synergic Action of Systemic Risedronate and Local Rutherpy in Peri-implantar Repair of Ovariectomized Rats: Biomechanical and Molecular Analysis

Bruna Kaori Namba Inoue, Laura Vidoto Paludetto, Naara Gabriela Monteiro, Fabio Roberto de Souza Batista, Igor Lebedenco Kitagawa, Roberto Santana da Silva, Cristina Antoniali, Paulo Noronha Lisboa Filho, Roberta Okamoto

Summary: Postmenopausal osteoporosis and poor dietary habits can lead to overweightness and obesity. This study found that nitric oxide has the potential to improve peri-implant conditions, especially at low concentrations.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2023)

Article Medicine, General & Internal

The Interplay of Raloxifene and Sonochemical Bio-Oss in Early Maxillary Sinus Bone Regeneration: A Histological and Immunohistochemical Analysis in Rabbits

Anderson Maikon de Souza Santos, Rodrigo dos Santos Pereira, Pietro Montemezzi, Rafael Coutinho Mello-Machado, Roberta Okamoto, Roberto Sacco, Paulo Noronha Lisboa-Filho, Michel Reis Messora, Carlos Fernando Mourao, Eduardo Hochuli-Vieira

Summary: The study aimed to assess the efficacy of using Raloxifene with ultrasonic processing to enhance Bio-Oss & REG; for maxillary sinus bone height reconstruction. Results indicated that while sonicated Bio-Oss & REG; performed comparably to Bio-Oss & REG; alone, the addition of Raloxifene led to an unexpected delay in bone repair. These findings stress the importance of histological evaluation for accurate bone repair assessment.

MEDICINA-LITHUANIA (2023)

Article Materials Science, Multidisciplinary

Translating efficient fluorescence into persistent room-temperature phosphorescence by doping bipolar fluorophores into polar polymer matrix

Mengjiao Dong, Liyun Liao, Chensheng Li, Yingxiao Mu, Yanping Huo, Zhong-Min Su, Fushun Liang

Summary: This study investigates the influence of the polarity of polymer matrices on persistent room-temperature phosphorescence (pRTP). It is discovered that intense phosphorescence emission can be achieved in highly polar matrices such as polyacrylic acid (PAA). The dipole-dipole interaction between the polar fluorophore and polar matrix is proposed to stabilize the excited state and facilitate the generation of efficient room-temperature phosphorescence emissions.

JOURNAL OF MATERIALS CHEMISTRY C (2024)

Article Materials Science, Multidisciplinary

High spatial resolution X-ray scintillators based on a 2D copper(i) iodide hybrid

Han-Jiang Yang, Weijia Xiang, Xiangzhou Zhang, Jin-Yun Wang, Liang-Jin Xu, Zhong-Ning Chen

Summary: This article reports a 2D copper(I)-based cluster material for X-ray imaging, which exhibits ultra-high spatial resolution, high photoluminescence efficiency, and low detection limit. The material shows excellent linear response to X-ray dose rates and light output, and has the best spatial resolution among reported lead-free metal halide hybrids.

JOURNAL OF MATERIALS CHEMISTRY C (2024)

Review Materials Science, Multidisciplinary

Interlayer and intermolecular excitons in various donor-acceptor heterostructures: applications to excitonic devices

Taek Joon Kim, Sang-hun Lee, Dayeong Kwon, Jinsoo Joo

Summary: Donor-acceptor heterostructures using organic-inorganic halide perovskites, two-dimensional transition metal dichalcogenides, pi-conjugated organic small/macro molecules, and quantum dots are promising platforms for exciton-based photonics and optoelectronics. Hetero-interlayer excitons and hetero-intermolecular excitons formed through optical and/or electrical charge transfer in various heterostructures are important quasi-particles for light emission, detection, and harvesting systems.

JOURNAL OF MATERIALS CHEMISTRY C (2024)

Article Materials Science, Multidisciplinary

Designing CMOS compatible efficient ohmic contacts to WSi2N4 via surface-engineered Mo2B monolayer electrodes

Liemao Cao, Xiaohui Deng, Zhen-kun Tang, Rui Tan, Yee Sin Ang

Summary: We investigate the interface properties between WSi2N4 and Mo2B, O-modified Mo2B, and OH-modified Mo2B nanosheets. We find that WSi2N4 and Mo2B form n-type Schottky contacts, while functionalizing Mo2B with O and OH leads to the formation of both n-type and p-type ohmic contacts with WSi2N4. Additionally, we demonstrate the emergence of quasi-ohmic contact with ultralow lateral Schottky barrier and zero vertical interfacial tunneling barriers in Mo2B(OH)2-contacted WSi2N4.

JOURNAL OF MATERIALS CHEMISTRY C (2024)

Article Materials Science, Multidisciplinary

Soft nanocomposites of lead bromide perovskite and polyurethane prepared via coordination chemistry for highly flexible, stable, and quaternary metal alloy-printed light emitting diodes

Ga Eun Kim, Hae-Jin Kim, Heesuk Jung, Minwoo Park

Summary: This study presents a solution to the commercialization challenges of flexible LEDs based on MAPbBr(3) by incorporating polyurethane and an In-Ga-Zn-Sn liquid alloy. The designed devices showed high flexibility, efficiency, and durability, with improved electron injection and reduced defects, making them promising for next-generation displays.

JOURNAL OF MATERIALS CHEMISTRY C (2024)

Article Materials Science, Multidisciplinary

Elucidating the effects of the sidechain substitution direction on the optoelectronic properties of isomeric diketopyrrolopyrrole-based conjugated polymers for near-infrared organic phototransistors

Tao Shen, Zeng Wu, Zhen Jiang, Dongsheng Yan, Yan Zhao, Yang Wang, Yunqi Liu

Summary: Sidechain engineering is an important molecular design strategy for tuning the solid-state packing and structural ordering of conjugated polymers. The effects of sidechain direction on the optoelectronic properties of polymers and device performance were systematically investigated in this study. The results demonstrate that tuning the sidechain substitution direction can effectively improve the molecular structure and light absorption properties of polymers, providing new insights for the rational design of functional polymers.

JOURNAL OF MATERIALS CHEMISTRY C (2024)

Article Materials Science, Multidisciplinary

Phase-engineering compact and flexible CsPbBr3 microcrystal films for robust X-ray detection

Lotte Clinckemalie, Bapi Pradhan, Roel Vanden Brande, Heng Zhang, Jonathan Vandenwijngaerden, Rafikul Ali Saha, Giacomo Romolini, Li Sun, Dirk Vandenbroucke, Mischa Bonn, Hai I. Wang, Elke Debroye

Summary: In this study, a facile strategy using a non-conductive polymer was proposed to fabricate stable, pinhole-free thick films. The effect of introducing a second phase into CsPbBr3 perovskite crystals on their photophysical properties and charge transport was investigated. The dual phase devices exhibited improved stability and more effective operation at higher voltages in X-ray detection.

JOURNAL OF MATERIALS CHEMISTRY C (2024)

Article Materials Science, Multidisciplinary

Photoluminescence and structural phase transition relationship in Er-doped BaTiO3 model ferroelectric system

Jingye Zou, Shenglan Hao, Pascale Gemeiner, Nicolas Guiblin, Omar Ibder, Brahim Dkhil, Charles Paillard

Summary: When rare-earth ions are embedded in a ferroelectric material, their photoluminescence can serve as an all-optical probe for temperature, electric field, and mechanical stimulus. However, the impact of ferroelectric phase transitions on photoluminescence is not well understood. In this study, we demonstrate changes in the photoluminescence of green emission bands during critical ferroelectric transitions in an Er-doped BaTiO3 material. We also find that the intensity ratio and wavelength position difference of sub-peaks provide information on the phase transitions.

JOURNAL OF MATERIALS CHEMISTRY C (2024)

Article Materials Science, Multidisciplinary

Resonant tunneling induced large magnetoresistance in vertical van der Waals magnetic tunneling junctions based on type-II spin-gapless semiconductor VSi2P4

Jiangchao Han, Daming Zhou, Wei Yang, Chen Lv, Xinhe Wang, Guodong Wei, Weisheng Zhao, Xiaoyang Lin, Shengbo Sang

Summary: Rare type-II spin-gapless semiconductors (SGSs) have attracted increasing attention due to their unique spin properties. In this study, the interface contacts and spin transport properties of different devices composed of VSi2P4 ferromagnetic layers were investigated. The results show that VSi2P4 is a promising material for designing vertical van der Waals heterostructures with a giant tunnel magnetoresistance (TMR) in spintronic applications.

JOURNAL OF MATERIALS CHEMISTRY C (2024)

Article Materials Science, Multidisciplinary

Design of Cr-Ba-doped γ-Ga2O3 persistent luminescence nanoparticles for ratiometric temperature sensing and encryption information transfer

Tianqi Zhao, Renagul Abdurahman, Qianting Yang, Ruxiangul Aiwaili, Xue-Bo Yin

Summary: In this study, we designed and prepared Cr and Ba-doped gamma-Ga2O3 nanoparticles to achieve near-infrared emission and enhance the emission intensity. The emission mechanism was proposed based on the trap depth, band gap, and energy levels of Cr ions. The ratiometric temperature sensing and encryption information transfer demonstrated the potential applications of this technology.

JOURNAL OF MATERIALS CHEMISTRY C (2024)

Article Materials Science, Multidisciplinary

Spin-gapless semiconducting characteristics and related band topology of quaternary Heusler alloy CoFeMnSn

Shuvankar Gupta, Jyotirmoy Sau, Manoranjan Kumar, Chandan Mazumdar

Summary: In this study, a new spin-gapless semiconductor material CoFeMnSn is reported, and its stable structure and spin-polarized band structure are determined through experimental realization and theoretical calculations. The compound exhibits a high ferromagnetic transition temperature, making it excellent for room temperature applications. The nearly temperature-independent resistivity, conductivity, and carrier concentration of the compound, adherence to the Slater-Pauling rule, and the high intrinsic anomalous Hall conductivity achieved through hole doping further confirm its spin-gapless semiconductor nature. Additionally, the compound's SGS and topological properties make it suitable for spintronics and magneto-electronics devices.

JOURNAL OF MATERIALS CHEMISTRY C (2024)

Article Materials Science, Multidisciplinary

Two-dimensional metal-organic nanosheets composed of single-molecule magnets: structural modulation and enhanced magnetism utilizing the steric hindrance effect

Ikumi Aratani, Yoji Horii, Yoshinori Kotani, Hitoshi Osawa, Hajime Tanida, Toshiaki Ina, Takeshi Watanabe, Yohko F. Yano, Akane Mizoguchi, Daisuke Takajo, Takashi Kajiwara

Summary: In this study, two-dimensional arrays of single-molecule magnets (SMMs) based on metal-organic frameworks (MOFs) were systematically modified through Langmuir-Blodgett methods and chemical modifications. The introduction of bulky alkoxide groups induced structural changes and perpendicular magnetic anisotropy. This research provides a promising strategy for the construction of high-density magnetic memory devices using molecular spintronics.

JOURNAL OF MATERIALS CHEMISTRY C (2024)

Article Materials Science, Multidisciplinary

Eulytite-type Ba3Yb(PO4)3:Tm/Er/Ho as a high sensitivity optical thermometer over a broad temperature range

Zonghao Lei, Houhe Dong, Lijie Sun, Bing Teng, Yanfei Zou, Degao Zhong

Summary: Researchers have successfully developed four different up-conversion phosphors based on the Eulytite-type host Ba3Yb(PO4)(3). The optical temperature sensing properties of these phosphors were thoroughly investigated, and it was found that Ba3Yb(PO4)(3):Tm/Er/Ho showed potential for optical temperature measurement applications.

JOURNAL OF MATERIALS CHEMISTRY C (2024)

Article Materials Science, Multidisciplinary

Understanding trends in conductivity in four isostructural multifunctional crystals of Se substituted bis-dithiazolyl radicals

C. Roncero-Barrero, M. A. Carvajal, J. Ribas-Arino, I. de P. R. Moreira, M. Deumal

Summary: This study computationally investigates the conductivity of four isostructural compounds with different Se contents, and reveals the parameters that define their conductivity in stable organic radical materials. The results provide insights into the influence of Se content on the conductivity and highlight the importance of considering multiple parameters in understanding the trends in conductivity.

JOURNAL OF MATERIALS CHEMISTRY C (2024)

Article Materials Science, Multidisciplinary

Interplay between oxygen vacancies and cation ordering in the NiFe2O4 spinel ferrite

Remi Arras, Kedar Sharma, Lionel Calmels

Summary: In this study, we investigated the interplay between structural defects in NiFe2O4, showing that the complex formed by a Ni-Oh/Fe-Td-cation swap and a neutral oxygen vacancy is more stable than these two isolated defects, and significantly reduces the width of the minority-spin band gap.

JOURNAL OF MATERIALS CHEMISTRY C (2024)