Article
Chemistry, Physical
Daniel Mutter, Roland Schierholz, Daniel F. Urban, Sabrina A. Heuer, Thorsten Ohlerth, Hans Kungl, Christian Elsaesser, Ruediger-A. Eichel
Summary: The defect chemistry of perovskite compounds is closely related to the stoichiometry and valence states of transition-metal ions, allowing for tuning catalytic properties through defect engineering. Combining theoretical calculations and experimental methods, this study investigates the feasibility of manipulating the valence state of iron and the concentration of point defects by synthesizing La-deficient LFO. The results suggest that significant compositional deviations from stoichiometric LFO are not expected by varying the conditions of oxidic precursor compounds in solid-state processing routes.
CHEMISTRY OF MATERIALS
(2021)
Article
Chemistry, Physical
M. S. Koroleva, A. G. Krasnov, A. Senyshyn, A. Schoekel, I. R. Shein, M. Vlasov, I. Piir
Summary: Experimental and theoretical investigations were conducted on novel bismuth niobates with pyrochlore structure, showing the effects of Na and Mg doping on their crystal structure, thermal stability, and electrical properties. The results indicated that the band gap values and electrical properties of the compounds were influenced by the concentrations of Na and Mg dopants in the structure.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Jing Shi, Xiao Liu, Fangyuan Zhu, Wenchao Tian, Yuanhua Xia, Tangyuan Li, Rongrong Rao, Tao Zhang, Laijun Liu
Summary: This study comprehensively investigates the structural characteristics and electrical performance of off-stoichiometry perovskite structural Bi0.5Na0.5TiO3 (BNT) ferroelectrics. The research reveals significant structural evolution and its influence on the ion migration ability, as well as the subtle distortions of ionic displacements, oxygen octahedral tilts, and local chemical environments for oxygen vacancies. These findings provide insights for designing BNT based oxide ion conductors with superior oxide ionic conductivity.
JOURNAL OF MATERIOMICS
(2022)
Article
Biochemistry & Molecular Biology
Yuliya Bespalko, Nikita Eremeev, Ekaterina Sadovskaya, Tamara Krieger, Olga Bulavchenko, Evgenii Suprun, Mikhail Mikhailenko, Mikhail Korobeynikov, Vladislav Sadykov
Summary: This study focuses on the synthesis and investigation of materials based on bismuth cerates and titanates. Different complex oxides were synthesized using different methods, and their structures were studied. The research also explores the oxygen diffusion mechanism in these materials.
Article
Chemistry, Multidisciplinary
Manav Bhati, Sergei A. Ivanov, Thomas P. Senftle, Sergei Tretiak, Dibyajyoti Ghosh
Summary: Using ab initio molecular dynamics (AIMD) simulations, the effects of thermal fluctuations on the structural and vibrational properties of non-stoichiometric cadmium selenide (CdSe) nanoclusters were investigated. The results showed that the excess atoms on the surface tended to fluctuate more, and the optical phonon modes were mainly composed of Se atoms dynamics, regardless of the composition. Furthermore, Cd-rich QDs exhibited faster non-radiative recombination, as suggested by non-adiabatic molecular dynamics (NAMD) simulations. Overall, this study provides insights into the dynamic electronic properties of non-stoichiometric QDs and explains the optical stability and superiority of cation-rich candidates for light emission applications.
Article
Chemistry, Physical
Libin Gao, Kexin Liang, Zhongzhe Liu, Hongwei Chen, Jihua Zhang
Summary: The structure and dielectric properties of BMN and BMCN materials were investigated. It was found that Ca doping influenced the crystal structure and led to the formation of a second phase in BMCN.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Physical
Mariia S. Koroleva, Aleksei G. Krasnov, Irina Piir
Summary: New Ru-doped bismuth-based pyrochlores were synthesized and their crystal structure, stability, optical, and electrical properties were studied. Ru doping led to a decrease in lattice parameters and a decrease in band gap energy. The chemical compatibility of the pyrochlores with La0.7-Sr0.3MnO3 was investigated. The pyrochlores showed potential as cathode composite materials for intermediate temperature solid oxide fuel cells (IT-SOFC).
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Multidisciplinary Sciences
Sonali Mehra, V. N. Mamta, V. N. Singh, Govind Gupta, A. K. Srivastava, Shailesh Narain Sharma
Summary: This paper focuses on the fabrication and properties of lead-free metal halide perovskites. The experimental results show that FA-based perovskites have nanocrystalline structure, while MA-based perovskites have an amorphous structure, and their optical properties are influenced by the type of halide. Simulation studies also reveal that the thickness of the absorbing layer affects the device characteristics.
Article
Chemistry, Applied
Amany M. El Nahrawy, Ahmed I. Ali, A. M. Mansour, Ali B. Abou Hammad, Bahaa A. Hemdan, Samir Kamel
Summary: Flexible oxidized cellulose (OC) films loaded with different mass fractions of cubic structure Bi0.5Na0.25K0.25TiO3 were prepared and their properties were studied. The results showed that the films had good optical and antibacterial properties, making them potential antibacterial packaging materials.
CARBOHYDRATE POLYMERS
(2022)
Article
Materials Science, Multidisciplinary
N. A. Zhuk, M. G. Krzhizhanovskaya, N. A. Sekushin, D. V. Sivkov, I. E. Abdurakhmanov
Summary: The composition of Bi1.49Co0.8Ta1.6O7.0 was characterized and found to have a disordered pyrochlore structure with shifted bismuth ions and replaced oxygen ions. The microstructure of the samples was dense and low-porosity. The cobalt pyrochlore was stable up to 1080 degrees C and exhibited uniform thermal expansion coefficient. No ionic processes were detected in the sample, and its electrical properties showed weak dependence on temperature and frequency. The conductivity activation energy was determined to be 0.58 eV in a certain temperature range.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Engineering, Electrical & Electronic
Shaotian Jie, Xiangping Jiang, Chao Chen, Xiaokun Huang, Xin Nie, Qinglang Jiang
Summary: By doping with Co3+, the Na0.5Bi2.5Nb2-xCoxO9 ceramics showed enhanced piezoelectric, dielectric, and ferroelectric properties, making them potential candidates for high-temperature applications.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2021)
Article
Chemistry, Physical
Miloud Benchehima, Mohammed Hicham Hachemi, Hamza Abid
Summary: This paper investigates the optoelectronic properties of the new ternary alloys AlP1-xBix at different concentrations of Bismuth x (0 <= x <= 1). The results show that the alloys have promising structural and optical properties, making them suitable for light sources in fiber-optic communications.
RADIATION PHYSICS AND CHEMISTRY
(2023)
Article
Chemistry, Physical
Anton Tuluk, Sybrand van der Zwaag, Yuanyu Wang
Summary: This work investigates the piezoelectric properties of BiFeO3-rich bulk piezoceramics and finds that the addition of PbTiO3 and SrTiO3 can enhance the piezoelectric properties and reduce the Curie temperature. The samples near the cubic-pseudocubic phase boundary exhibit the highest piezoelectric properties. Appropriate heat treatment leads to almost temperature-stable piezoelectric properties.
Article
Chemistry, Physical
Mathieu Mainville, Ryan Ambrose, Daniel Fillion, Ian G. Hill, Mario Leclerc, Paul A. Johnson
Summary: Organic photovoltaics based on NFAs have attracted great interest in recent years, with fused-ring systems showing promise for various devices. Computational modeling, particularly DFT, is used to predict material properties, but the accuracy of common methods for recent organic semiconductors is still unexplored. Evaluation of DFT functionals and HF theory for common NFAs shows promising results for device optimization.
ACS APPLIED ENERGY MATERIALS
(2021)
Article
Chemistry, Physical
Pierre-Marie Deleuze, Helene Magnan, Antoine Barbier, Zheshen Li, Alberto Verdini, Luca Floreano, Bruno Domenichini, Celine Dupont
Summary: In this paper, synchrotron radiation photoemission techniques were used to investigate the properties of the Ba 4d components, Ba(alpha) and Ba(beta). Different behaviors were observed for Ba(alpha) and Ba(beta) in photoelectron diffraction experiments. DFT calculations supported the findings, showing that Ba(alpha) mainly originates from the topmost BaO layer, while Ba(beta) comes predominantly from the surface BaO plane.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Prajyot Jayadev Nagtilak, Manoj V. Mane, Supreeth Prasad, Luigi Cavallo, Dean J. Tantillo, Manmohan Kapur
Summary: This study reports the reactivity of propargyl alcohols as Three-Carbon Synthons in a Rh(III)-catalyzed C-H functionalization. This method allows for the efficient synthesis of diverse molecular frameworks, with good functional group tolerance and unique regioselectivity.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Yury Minenkov, Luigi Cavallo, Kirk A. Peterson
Summary: The impact of complete basis set extrapolation schemes, diffuse functions, and tight weighted core functions on predicted enthalpies of formation via the DLPNO-CCSD(T1) approach has been investigated for neutral H,C,O-compounds. The results show that all tested extrapolation schemes have a mean unsigned deviation below 2 kJ mol(-1) relative to the experiment. The influence of tight weighted core functions on atomization energies is small, and core-valence correlation effects converge at triple-zeta level. The effect of diffuse function augmentation converges slowly and cannot be reproduced accurately with double-zeta or triple-zeta calculations.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2023)
Article
Multidisciplinary Sciences
Long Huang, Marcin Szewczyk, Rajesh Kancherla, Bholanath Maity, Chen Zhu, Luigi Cavallo, Magnus Rueping
Summary: In this study, stereodivergent allylic C(sp(3))-H bond arylations were successfully developed through a systematic investigation of the direction and degree of stereoselectivity in the cross-coupling process. Unlike the typical photosensitized geometrical isomerization of alkenes, the catalytic reaction demonstrated the feasibility of switching the C-C double bond stereoselectivity through ligand control and steric and electronic effects.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Benon P. Maliszewski, Tahani A. C. A. Bayrakdar, Perrine Lambert, Lama Hamdouna, Xavier Trivelli, Luigi Cavallo, Albert Poater, Marek Belis, Olivier Lafon, Kristof Van Hecke, Dominic Ormerod, Catherine S. J. Cazin, Fady Nahra, Steven P. Nolan
Summary: In this study, the catalytic activity of a series of platinum(II) pre-catalysts with N-heterocyclic carbene (NHC) ligands in the alkene hydrosilylation reaction is reported. The structural and electronic properties of these catalysts are fully characterized using X-ray diffraction analysis and nuclear magnetic resonance spectroscopy (NMR). A structure-activity relationship within this group of pre-catalysts is established, and mechanistic insights into the catalyst activation step are provided. One of the complexes shows exceptional catalytic performance, achieving a turnover number (TON) of 970,000 and a turnover frequency (TOF) of 40,417 h(-1) at 1 ppm catalyst loading. Furthermore, a solvent-free and open-to-air alkene hydrosilylation protocol with efficient platinum removal (reducing residual Pt from 582 ppm to 5.8 ppm) is disclosed.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Yu Cao, Ekaterina Toshcheva, Walid Almaksoud, Rafia Ahmad, Tatsuya Tsumori, Rohit Rai, Ya Tang, Luigi Cavallo, Hiroshi Kageyama, Yoji Kobayashi
Summary: In this study, we demonstrate the robust ammonia synthesis activity of the nitride hydride compound Ca3CrN3H, which activates dinitrogen through active sites where calcium provides the primary coordination environment. DFT calculations indicate that an associative mechanism is favored, unlike the dissociative mechanism found in traditional Ru or Fe catalysts. This work showcases the potential of alkaline earth metal hydride catalysts and other related 1D hydride/electrides for ammonia synthesis.
Article
Chemistry, Inorganic & Nuclear
Jennifer Morvan, Francois Vermersch, Ziyun Zhang, Thomas Vives, Thierry Roisnel, Christophe Crevisy, Laura Falivene, Luigi Cavallo, Nicolas Vanthuyne, Guy Bertrand, Rodolphe Jazzar, Marc Mauduit
Summary: The development of highly efficient enantioselective olefin metathesis catalysts is a major challenge. By using optically pure chiral cyclic (alkyl)(amino)carbene (ChiCAAC) ligands and preliminary mechanistic insights and density functional theory (DFT) computations, it was observed that the formation of rotamers before the enantio-determining step can impair catalytic performances in this field. DFT calculations also demonstrated that these findings can help accelerate ligand discovery by providing faster methods to differentiate potential candidates.
Article
Chemistry, Physical
Manoj V. Mane, Sayan Dutta, Luigi Cavallo, Bholanath Maity
Summary: In recent years, there has been a growing interest in multicomponent reactions (MCRs) as environmentally friendly and reliable synthetic strategies for drug discovery. This article discusses theoretical investigations that unravel the mechanistic pathways in IrIII-CuII dual-catalyzed MCRs, experimentally reported by MacMillan, and explains the origin of selectivity between three-component and two-component coupling products. The results suggest that N-H bond activation is the rate-limiting step and the preference for a two-component product is governed by the relative stabilities of the CuII-X center dot intermediates.
Article
Chemistry, Physical
Zahra Almisbaa, Hassan A. Aljama, Khalid Almajnouni, Luigi Cavallo, Philippe Sautet
Summary: DFT-based reaction profiles and microkinetic simulations were used to investigate the selective hydrogenation of acetylene on Ni-based intermetallic catalysts. Among the tested catalysts, NiIn showed the highest ethylene yield, while NiIn and Ni2In3 exhibited reduced ethane formation and increased oligomerization compared to Ni and Ni3In. The findings emphasize the importance of considering oligomerization reactions and coverage effects when evaluating the selectivity of catalysts. Additionally, the presence of indium on the catalytic surface was found to decrease the rate of acetylene consumption, highlighting a trade-off between activity and selectivity.
Article
Chemistry, Multidisciplinary
Honghong Liang, Zheng Ma, Yuqi Wang, Fei Zhao, Zhen Cao, Luigi Cavallo, Qian Li, Jun Ming
Summary: This study achieves reversible lithium-ion (de)intercalation in a propylene carbonate (PC)-based electrolyte containing a fluoroether by tuning the solvent-solvent interaction, providing an opportunity to enhance the compatibility of PC-based electrolytes with graphite anodes.
Article
Biochemistry & Molecular Biology
Arijit Das Sharma, Ravneet Kaur Grewal, Suresh Gorle, Andres Felipe Cuspoca, Vikas Kaushik, Abdul Rajjak Shaikh, Luigi Cavallo, Mohit Chawla
Summary: Gastrointestinal diarrhea, mainly caused by rotavirus, is a highly contagious disease with high mortality rates, especially in developing countries. The available vaccines have limited efficacy and there are risks associated with vaccination. Therefore, the development of alternative vaccines is necessary.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Organic
Shiyi Yang, Xiang Yu, Yaxu Liu, Michele Tomasini, Lucia Caporaso, Albert Poater, Luigi Cavallo, Catherine S. J. Cazin, Steven P. Nolan, Michal Szostak
Summary: The Suzuki-Miyaura cross-coupling reaction enables the construction of biaryl ketones from inert amide bonds. However, the mechanism of C(acyl)-N bond oxidative addition and catalyst effect in this reaction remain poorly understood. This study investigates the use of [Pd(NHC)(sulfide)Cl-2] catalysts for amide N-C bond activation and presents the reaction development, kinetic studies, and reaction scope. DFT studies were also conducted to gain insight into the mechanism of C(acyl)-N bond oxidative addition and catalyst activation. The results suggest that [Pd(NHC)(sulfide)Cl-2] precatalysts could find application in C(acyl)-X bond activation in organic synthesis and catalysis.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Multidisciplinary Sciences
Krishnamoorthy Muralirajan, Rajesh Kancherla, Bholanath Maity, Safakath Karuthedath, Frederic Laquai, Luigi Cavallo, Magnus Rueping
Summary: In this manuscript, the authors describe the development of excited-state Pd-catalyzed dehydrogenative beta-sulfonylation reactions using amines and aryl sulfonyl chlorides via intermolecular hydrogen atom transfer and C-S cross-coupling processes at room temperature. The reaction efficiently converts amines into stable sulfonyl-substituted enamines and provides evidence for both static and dynamic quenching, as well as inner-sphere and outer-sphere mechanisms.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Sofie M. P. Vanden Broeck, Nikolaos V. V. Tzouras, Marina Saab, Kristof Van Hecke, Busra Dereli, Ida Ritacco, Luigi Cavallo, Georgios C. C. Vougioukalakis, Pierre Braunstein, Steven P. P. Nolan, Andreas A. A. Danopoulos, Catherine S. J. Cazin
Summary: The 4-RN-1,3-Ar-2-imidazolium salt, R = iPr, tBu, Ar = Mes, Dipp, underwent metalation by Au-I at the C2-, C5-, and 4-RN positions, depending on the reactants and conditions used. A rare direct rearrangement of the Au-I aminide to an abnormal imidazol-5-ylidene Au-I complex was also observed, which may involve TfO- facilitated H+ transfer, according to a DFT study.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Ekaterina A. Martynova, Marco Zuccarello, Domenic Kronenberg, Marek Belis, Agnieszka Czapik, Ziyun Zhang, Kristof Van Hecke, Marcin Kwit, Olivier Baudoin, Luigi Cavallo, Steven P. Nolan
Summary: Green and sustainable access to chiral and achiral gold-IBiox complexes is achieved through a simple and air-tolerant synthesis method using a green solvent. The catalytic activity of these complexes in the hydroamination of alkynes is examined, and their steric protection of the gold center is compared with commonly encountered NHCs using the %V-bur model.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Physical
Bo Li, Liang Yi, Bholanath Maity, Jiaqi Jia, Yuqin Shen, Xiang-Yu Chen, Luigi Cavallo, Magnus Rueping
Summary: Noncovalent interactions, particularly halogen bonding, play a crucial role in organic synthesis and catalysis, including the synthesis of organoselenium compounds. By utilizing the reaction balance between an electron donor-acceptor complex and Ph2Se2, the halogen bonding interaction facilitates the formation of C-Se bonds through the capture of alkyl radicals. This synthetic strategy has been successfully applied in the transformation of various carboxylic acids, natural products, drugs, and alpha-selenoamino acids.
Article
Materials Science, Multidisciplinary
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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)