Article
Chemistry, Inorganic & Nuclear
Irina A. Kuhne, Andrew Ozarowski, Aizuddin Sultan, Kane Esien, Anthony B. Carter, Paul Wix, Aoife Casey, Mooneerah Heerah-Booluck, Tony D. Keene, Helge Muller-Bunz, Solveig Felton, Stephen Hill, Grace G. Morgan
Summary: Structural, magnetic, and spectroscopic characterization of a Mn3+ spin-crossover complex with Schiff base ligand 4-OMe-Sal(2)323, isolated in crystal lattices with five different counteranions, reveals different spin states preferences and potential ligand directed chirality.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Jiajia Li, Xiao-Peng Sun, Shiqi Bi, Minglu Xu, Siyu Jia, Zheng Tang, Pengtao Ma, Jingping Wang, Jun Tao, Jingyang Niu
Summary: This study successfully integrated polyoxometalate (POM) anions into the Fe(II) spin crossover (SCO) system and found that POM anions play an effective role in regulating spin-state switching properties.
INORGANIC CHEMISTRY
(2022)
Article
Materials Science, Multidisciplinary
N. Kazak, M. S. Platunov, Yu Knyazev, M. S. Molokeev, M. Gorev, S. G. Ovchinnikov, Z. Pchelkina, V. V. Gapontsev, S. Streltsov, J. Bartolome, A. Arauzo, V. V. Yumashev, S. Yu Gavrilkin, F. Wilhelm, A. Rogalev
Summary: In this study, the spin and oxidation states of Co in Co3BO5 were investigated using XMCD and magnetic susceptibility measurements. Results show that at low temperatures, Co2+ ions are in the HS state while Co3+ ions are in the LS state. The crystal structure shows anomalies at high temperatures.
Article
Chemistry, Multidisciplinary
Fumiya Kobayashi, Teruya Hiramatsu, Keigo Sueyasu, Makoto Tadokoro
Summary: In this study, a mononuclear hydrogen-bonded Co(II) spin crossover compound was demonstrated to exhibit high proton conductivity. The compound showed complex 3D supramolecular structure and magnetic behavior, and displayed a proton conductivity of 1.68 x 10-3 S cm-1 at 353 K and 98% relative humidity. This study provides new insights for the design of molecular proton conductors and contributes to the development of multifunctional molecular switching materials.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Multidisciplinary
Teresa Delgado, Melanie Villard
Summary: Spin crossover materials can switch between high spin and low spin states, with different properties. The spin transition can be tracked using various techniques. Conducting a laboratory experiment on thermal transition provides a simple way to understand fundamental concepts and engage in materials synthesis and characterization.
JOURNAL OF CHEMICAL EDUCATION
(2022)
Article
Nanoscience & Nanotechnology
Oleksandr Ye. Horniichuk, Karl Ridier, Lijun Zhang, Yuteng Zhang, Gabor Molnar, Lionel Salmon, Azzedine Bousseksou
Summary: This study reports on the fabrication, characterization, and application of high-quality nanometric thin films of the molecular spin-crossover complex [Fe(HB(1,2,3-triazol-1-yl)3)2], with thicknesses in the range 20-200 nm. The films were obtained by vacuum thermal evaporation and characterized using various techniques. The films exhibit a gradual spin conversion centered at approximately 374 K and can enhance the UV-light thermoreflectance coefficient of reflective surfaces.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Multidisciplinary Sciences
Jin-Peng Xue, Yang Hu, Bo Zhao, Zhi-Kun Liu, Jing Xie, Zi-Shuo Yao, Jun Tao
Summary: Host-guest interactions play a critical role in achieving switchable porous materials, but controlling them remains challenging. In this study, an atypical pore rearrangement was reported in a magnetic 2D porous framework upon water adsorption, which affected the magnetic properties of the material.
NATURE COMMUNICATIONS
(2022)
Article
Multidisciplinary Sciences
Julia Villalva, Aysegul Develioglu, Nicolas Montenegro-Pohlhammer, Rocio Sanchez-de-Armas, Arturo Gamonal, Eduardo Rial, Mar Garcia-Hernandez, Luisa Ruiz-Gonzalez, Jose Sanchez Costa, Carmen J. Calzado, Emilio M. Perez, Enrique Burzuri
Summary: Encapsulating robust Fe-based SCO molecules within the 1D cavities of single-walled carbon nanotubes (SWCNT) can endure encapsulation and positioning of individual heterostructures in nanoscale transistors, triggering a large conductance bistability and providing a backbone for readout and positioning of SCO molecules into nanodevices, as well as helping to tune their magnetic properties at the nanoscale. Spin-crossover molecules are ideal sensors due to their ability to change spin-state under various stimuli, but typically face limitations such as insulating and unstable properties, which can be overcome through encapsulation inside carbon nanotubes.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Felicitas Scholz, Mustafa Cevik, Philipp Hallensleben, Pascal Thome, Gunther Eggeler, Jan Frenzel
Summary: Ni-based single crystal superalloys contain microstructural regions separated by low-angle grain boundaries, leading to the phenomenon of mosaicity. Individual dendrites in the microstructure may deviate up to approximately 4 degrees from the average growth direction, although generally they coincide with crystallographic directions. The study aims to better understand competitive dendrite growth and crystal mosaicity through quantitative evaluation of the rich data sets obtained.
Article
Biochemistry & Molecular Biology
Karim Affes, Yogendra Singh, Kamel Boukheddaden
Summary: This study examines the effect of random metal dilution on the thermal and structural properties of a spin-crossover single crystal. The research finds that at low dilution rates, the transition is of the first order, but increasing the concentration of dopants results in a decrease in cooperativity and gradual transformations. The study also observes significant changes in the organization of spin states during thermal transition, with a transition from single-domain nucleation to multi-droplet nucleation.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Review
Chemistry, Multidisciplinary
Shufang Xue, Yunnan Guo, Yann Garcia
Summary: Spin crossover technology continues to attract worldwide attention, with many potential applications envisioned, but there are still challenges in achieving spin state switching between discrete molecular crystals in crystal materials.
Article
Chemistry, Inorganic & Nuclear
Jose de Jesus Velazquez-Garcia, Krishnayan Basuroy, Darina Storozhuk, Joanne Wong, Serhiy Demeshko, Franc Meyer, Robert Henning, Simone Techert
Summary: This study investigates the structural evolution of a defect [2 x 2] triiron(II) metallogrid during temperature increase and light irradiation. The flexibility of the grid leads to interesting characteristics that can be used for intermolecular cooperativity in related thermally responsive systems. The time-resolved photocrystallography reveals the photoinduced and elastic steps in the out-of-equilibrium process.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Rafaela T. Marques, Liliana P. Ferreira, Clara S. B. Gomes, Catia S. D. Lopes, Carlos E. S. Bernardes, Nirod Kumar Sarangi, Tia E. Keyes, Paulo N. Martinho
Summary: The storage of guest molecules in nonporous single crystals is an important development in the field of smart materials. We describe the synthesis and characterization of the new spin crossover Fe(III) compound [Fe(3-Br,5-ClsalEen)2]BPh4 center dot CH3CN center dot H2O (salEen = N-ethyl-N-(2-aminoethyl)salicylaldiminate) and its reversible single-crystal-to-single-crystal transformation upon desolvation and resolvation of the crystals. This compound behaves as a spin crossover sponge, and the desolvation/resolvation dynamics were studied through kinetic analysis.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Physical
Yongfeng Tong, Massine Kelai, Kaushik Bairagi, Vincent Repain, Jerome Lagoute, Yann Girard, Sylvie Rousset, Marie-Laure Boillot, Talal Mallah, Cristian Enachescu, Amandine Bellec
Summary: This study demonstrates the voltage-induced switching of high spin/low spin electronic states of spin-crossover molecules self-assembled on Au(1 1 1) and Cu(1 1 1) by scanning tunneling microscopy at low temperature. Memory effect observed on Cu(1 1 1) is attributed to long-range intermolecular interaction and molecule/substrate coupling.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Inorganic & Nuclear
Zhilin Guo, Maolin You, Yi-Fei Deng, Qiang Liu, Yin-Shan Meng, Zoe Pikramenou, Yuan-Zhu Zhang
Summary: The study successfully obtained two Fe(ii) grid-like complexes using a coordination-driven supramolecular assembly strategy, demonstrating spin-crossover behavior in azido-bridged complexes. By substitution of the ligand, the complex showed a synergistic effect between spin-crossover behavior and luminescence.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Inorganic & Nuclear
Xinghui Qi, Philippe Guionneau, Enzo Lafon, Solene Perot, Brice Kauffmann, Corine Mathoniere
Summary: Three new ionic salts with [M(CN)(8)](4-) (M = Mo-IV and W-IV) were prepared using large complex cations based on a non-conventional motif. The crystal structures of these compounds show relatively isolated anionic and cationic entities. These compounds exhibit significant photomagnetic effects when irradiated with blue light at low temperatures.
Article
Nanoscience & Nanotechnology
Ferdinand Hof, Lorenzo Poggini, Edwige Otero, Benoit Gobaut, Mathieu Gonidec, Mathieu Duttine, Patrick Rosa, Olivier Sandre, Alain Penicaud
Summary: Magnetic nanoparticles play a crucial role in the development of efficient medical treatments, with graphene templating offering a promising solution to prevent aggregation. The successful synthesis of ultrasmall potassium ferrite nanoparticles through a mild method provides new insights for the transformation of related reactions.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Medicinal
Angela Valentin-Perez, Patrick Rosa, Elizabeth A. Hillard, Michel Giorgi
Summary: This review article discusses chirality determination in the solid state, focusing on X-ray diffraction. It summarizes the main principles of using X-ray diffraction to determine absolute structure reliably, and illustrates the complexity that can be encountered in chiral structures with examples. The article also addresses the problem of bulk crystallization and discusses different techniques for determining chirality in large assemblies of crystal structures, highlighting a recently reported X-ray natural circular dichroism mapping technique.
Article
Chemistry, Inorganic & Nuclear
Thi Thiet Vu, Nathalie Daro, Mathieu Marchivie, Stephane Mornet, Eric Freysz, Guillaume Chastanet
Summary: This paper presents a chemical strategy for obtaining nanoparticles of the RbxMn[Fe(CN)(6)]((x+2)/3)center dot nH(2)O (RbMnFe) Prussian blue analogue in a direct manner, aiming to maintain its switching ability at the nanoscale. The study found that smaller particles had lower rubidium content, potentially affecting the observation of switching properties on very small particles. The results show the potential for creating switchable particles without surfactants, and the importance of this work in processing nanoparticles into devices.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Gael Privault, Jean-Yves Mevellec, Maciej Lorenc, Bernard Humbert, Etienne Janod, Nathalie Daro, Guillaume Chastanet, Alaska Subedi, Eric Collet
Summary: In this article, the authors investigate the vibrational modes in spin-crossover materials by studying the [Fe(phen)(2)(NCS)(2)] crystal. They compare experimental vibrational spectroscopy data with theoretical calculations and discuss the complex nature of vibrational modes in crystals. They also highlight the contribution of low-frequency libration modes to the total entropy difference between the low-spin and high-spin phases.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Multidisciplinary
Tristan Castel, Anais Marchetti, Felix Houard, Nathalie Daro, Mathieu Marchivie, Guillaume Chastanet, Kevin Bernot
Summary: The synthesis of two polymorphs of the spin crossover coordination polymer {[Fe(Htrz)2(trz)](BF4)}n is explored using novel template-free methods. A one-pot synthesis approach and the addition of ultrasound pulses are used to control the local synthetic conditions and improve the phase purity of the product. These approaches lead to a significant reduction in particle size and the transition from a mixture of polymorphs to a pure phase, without the need for surfactants.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Multidisciplinary
Ugo Serdan, Lucas Robin, Mathieu Marchivie, Mathieu Gonidec, Patrick Rosa, Elen Duverger-Nedellec, Emilie Pouget, Philippe Sainctavit, Marie-Anne Arrio, Amelie Juhin, Andrei Rogalev, Fabrice Wilhelm, Elizabeth A. A. Hillard
Summary: By integrating enantiomers into a conglomerate-forming matrix, we can control the formation of conglomerates. Ni(II) and Fe(II) form molecular alloys with Zn(II), with Ni(II) allowing for higher concentrations compared to Fe(II). Fast-growing precipitates are more likely to form chiral phases, while slow re-crystallizations favor racemic phases.
CHEMISTRY-SWITZERLAND
(2023)
Article
Chemistry, Physical
Hilaire Mba, Matthieu Picher, Nathalie Daro, Mathieu Marchivie, Philippe Guionneau, Guillaume Chastanet, Florian Banhart
Summary: Spin-crossover particles of [Fe(Htrz)2trz](BF4) with sizes of some hundred nanometers were studied by in situ electron microscopy. Despite their high radiation sensitivity, it was possible to analyze the particles by imaging and diffraction so that a detailed analysis of crystallographic defects in individual particles became possible. The presence of tilt boundaries, where the tilt axis is the direction of the polymer chains, was detected in each particle. The defect structure only changes after a high number of transformations between the low-spin and high-spin phases, which can be explained by the anisotropy of the atomic architecture within the crystals.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Raul Diaz-Torres, Guillaume Chastanet, Eric Collet, Elzbieta Trzop, Phimphaka Harding, David J. Harding
Summary: The influence of solvent on the spin crossover behavior of two solvates [Fe(qsal-I)(2)]NO(3 center dot)2ROH (qsal-I = 4-iodo-2-[(8-quinolylimino)methyl]phenolate; R = Me 1 or Et 2) is investigated. Solvate 1 undergoes a symmetry-breaking phase transition from a [HS] to [HS-LS] state at 210 K, while the EtOH solvate shows complete spin crossover at T-1/2 = 250 K. The MeOH solvate exhibits LIESST and reverse-LIESST from the [HS-LS] state, revealing a hidden [LS] state. Photocrystallographic studies on solvate 1 reveal re-entrant photoinduced phase transitions to a high symmetry [HS] phase or a high symmetry [LS] phase under irradiation at 980 nm or 660 nm, respectively. This study presents the first example of bidirectional photoswitchability and subsequent symmetry-breaking from a [HS-LS] state in an iron(III) spin crossover material.
Article
Materials Science, Multidisciplinary
Margaux Penicaud, Edoardo Martinez, Giulia Serrano, Brunetto Cortigiani, Lorenzo Squillantini, Juan H. Gonzalez-Estefan, Emilio Velez-Fort, Mathieu Duttine, Mathieu Gonidec, Patrick Rosa, Matteo Mannini, Lorenzo Poggini
Summary: A new spin-crossover complex based on a heteroscorpionate ligand was synthesized and characterized. Thin films were grown on HOPG and Au(111) surfaces, and their properties were studied using X-ray absorption and X-ray photoemission spectroscopy. The results showed that the thermally induced spin-crossover is preserved at a sub-monolayer coverage on HOPG, while it is lost on Au(111) surface.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Gautier Duroux, Lucas Robin, Peizhao Liu, Emilie Dols, Matheus De Souza Lima Mendes, Sonia Buffiere, Elodie Pardieu, Antoine Scalabre, Thierry Buffeteau, Sylvain Nlate, Reiko Oda, Maria Sara Raju, Matteo Atzori, Cyrille Train, Geert L. J. A. Rikken, Patrick Rosa, Elizabeth A. Hillard, Emilie Pouget
Summary: This study aims to explore the strategy of inducing chirality to achiral magnetic molecules for the preparation of magneto-chiral objects. The results showed that electrostatic or covalent surface grafting of the porphyrin molecules resulted in low induced circular dichroism (ICD), while incorporating the porphyrins into the interior of the double-walled helices yielded a moderate response. Drop-casting the porphyrin molecules onto the immobilized helices on a quartz plate resulted in a stronger and more variable ICD response. The patterns of aggregation and their influence on ICD and magnetic circular dichroism (MCD) were interpreted using electronic spectroscopy, electron microscopy, and IR spectroscopy. Except for the free base tetra-(4-sulfonatophenyl)porphyrin (TPPS), no enhancement of MCD was observed in the nanohelices, possibly due to spectral mismatch between the ICD and MCD peaks.
Article
Chemistry, Multidisciplinary
Theerapoom Boonprab, Upeksha Habarakada, Guillaume Chastanet, Phimphaka Harding, David J. Harding
Summary: This study reports a series of three solvates [Fe(naphPren)2]I center dot CH2Cl2 1, [Fe(naphPren)(2)]I center dot CHCl3 2, and [Fe(naphPren)(2)]I center dot acetone 3 with the novel ligand HnaphPren {2-([(2-(propylamino)ethyl]imino)methyl)naphthalen-2-ol}. Magnetic studies reveal that 1 exhibits an abrupt spin-crossover (SCO) at 162 K, while 2 shows a more gradual SCO centered at 172 K. Compound 3 is trapped in the high-spin (HS) state, but irradiation at 980 nm enables access to a hidden low-spin (LS) state via reverse-LIESST. The structures of 1-3 demonstrate that reversible disorder in the propyl group coupled to SCO is present in 1 and 2 but absent in the acetone solvate. Solvent subtly alters the packing, impacting the flexibility of the propyl chain and thereby switching SCO on or off.
Article
Chemistry, Inorganic & Nuclear
Raul Diaz-Torres, Theerapoom Boonprab, Silvia Gomez-Coca, Eliseo Ruiz, Guillaume Chastanet, Phimphaka Harding, David J. Harding
Summary: This study explores the alcohol effects in a series of iron(III) spin crossover complexes. The results show that even small changes in the solvent can dramatically influence the crystal packing and therefore the spin crossover properties.
INORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Inorganic & Nuclear
Kishalay Bhar, Wenbin Guo, Mathieu Gonidec, Venkata Nikhil M. Raj, Surabhi Bhatt, Franc Perdih, Philippe Guionneau, Guillaume Chastanet, Anuj K. Sharma
Summary: We synthesized a series of molecular complexes with spin crossover behavior and successfully observed their structures and transition processes in crystals. Complexes 1 and 2 exhibit complete and gradual spin crossover at higher temperatures, while complex 3 shows strong irreversible features at lower temperatures.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Multidisciplinary
Matthew G. Reeves, Elodie Tailleur, Peter A. Wood, Mathieu Marchivie, Guillaume Chastanet, Philippe Guionneau, Simon Parsons
Summary: Crystal packing energy calculations are used to analyze a family of spin crossover complexes, revealing a linear relationship between transition abruptness and changes in intermolecular interaction energy in the crystal structures. Abrupt transitions are associated with significant stabilising and destabilising changes in intermolecular interaction energies. Different classes of SCO complexes exhibit varying trends in relation to transition abruptness.
Correction
Chemistry, Physical
Chen Luo, Yan Shao, Hua Yu, Hong-zhi Ma, Yu-hao Zhang, Long Gu, Bo Yin, Ming-bo Yang
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Stefano Borocci, Armando Camerlingo, Felice Grandinetti, Maria Rutigliano, Nico Sanna
Summary: The complexes of He, Ne, Ar, Kr, and Xe with B3N3H6 were investigated using MP2, CCSD(T), and SAPT ab initio methods. The complexes can be described as mono-, di-, and tri-coordinated to the N atoms, with stability following the order N-mono < N-di < N-tri. The interactions are dominated by dispersion and the binding energies are within the range of 1 or 2 kcal mol(-1). The results were compared with a recent DFT study on larger BN sheets complexes [Phys. Chem. Chem. Phys. 24 (2022) 2554-2566.].
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
V. Nagarajan, R. Bhuvaneswari, R. Chandiramouli
Summary: In this study, stable phosphoborane was used as a sensor to detect isobutane and n-propane in Liquefied Petroleum Gas (LPG). Phosphoborane demonstrated structural stability and semiconducting nature, and exhibited promising adsorption properties for the LPG molecules.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xiaoxi Xu, Zijiang Yang, Bayaer Buren, Maodu Chen
Summary: In this study, the time-dependent wave packet method was used to investigate the reaction channels and mechanisms of Ca+ + HD. The results show that the CaH+ + D reaction channel plays a primary role, which is consistent with experimental results. Complex forming and direct-abstraction reaction mechanisms exist in this reaction process.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Keshab Pandey, Hae Kyung Jeong
Summary: A free-standing silicon-carbon nanofiber composite film was synthesized and investigated for supercapacitor applications. It exhibited high specific capacitance, energy density, and power density. After 5000 cycles, the film showed excellent specific capacitance retention and Coulombic efficiency.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xinyu Zhang, Haosong Li, Xiaoyu Cao, Jing Gao, Yong Wei, Jianzhuo Zhu
Summary: The evaporation behavior of nanosized water aggregations on two-dimensional electroneutral solid surfaces with different surface polar unit densities was investigated. The results showed that the evaporation rate changes non-monotonically with the surface polar unit density, and the minimum evaporation rate is obtained when the surface has a modest surface polar unit ratio of 66.7%.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Yanyan Xu, Rui Dai, Xiaojie Wang, Zhijun Qiao, Haowei Wen, Dianbo Ruan, Yuzuo Wang
Summary: This article presents an innovative solvothermal sodium insertion method for synthesizing Triphylite-NaFePO4, which demonstrates optimal electrochemical performance in sodium-ion batteries.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Meiyi Jiang, Kun Yang, Yancheng Liu, Li Yao
Summary: The geometric structure and electronic properties of transition metal M (M = Cu, Fe, Mn)-TiO2 (101) surface adsorbed by NO2 and N2O were calculated by density functional theory (DFT) and DFT + U theory. The results showed that the adsorption of NO2 and N2O on Mn and Fe atoms is more stable, and a large number of active electrons are formed around these atoms, facilitating the catalytic reactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Sergey A. Vyrko, Yulia G. Polynskaya, Nikita A. Matsokin, Andrey M. Popov, Andrey A. Knizhnik, Nikolai A. Poklonski, Yurii E. Lozovik
Summary: In this study, carbon nanobracelets, which are cyclic molecules composed of alternating polycyclic regions and double carbon chains, were investigated using spin-polarized density functional theory. The results show that carbon nanobracelets with odd number of monomers exhibit distinct electronic energy levels, band gaps, and carbon chain deformation compared to those with even number of monomers.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Chanchan Wang, Quan Yang, Yanzhi Ding, Xiaoyong Lu, Dong Tian
Summary: It has been found that the introduction of buffer layers improves the electrical performance of solid oxide fuel cells (SSOFCs). In this study, varying ratios of Gd-doped CeO2 were used as buffer layers in YSZ-based SSOFCs. The results demonstrate that the performance of SSOFCs is enhanced when a buffer layer is added, with the highest performance achieved using Ce0.8Gd0.2O2-delta (GDC20) as the buffer layer. This suggests that the use of GDC series buffer layers is an attractive strategy to optimize performance loss due to electrolyte-electrode interactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Wang Li, Yi-Fan Zhang, Jia-Bin Huang, Chang-Yang Wang, Feng Zhang, Jiu-Zhong Yang, Long Zhao
Summary: The gas-phase reaction of propargyl with vinylacetylene was investigated using synchrotron photoionization and molecular-beam mass spectrometry methodologies. The formation mechanisms of the resulting cyclic structures were examined using quantum computations. Two previously unidentified isomers were detected and identified for the first time.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Avijit Pramanik, Sanchita Kundu, Olorunsola Praise Kolawole, Kaelin Gates, Paresh Chandra Ray
Summary: This study investigates the influence of aspect ratio and quantum confinement on the single-photon and two-photon absorption cross-section of perovskite CsPbI3 nanorods. Experimental data shows that CsPbI3 nanorods have an extremely high two-photon absorption cross-section, significantly surpassing organic chromophores and other CsPbBr3 nanocrystals. Moreover, adjusting the aspect ratio can significantly enhance the absorption ability. Additionally, the study also reveals a moderate quantum confinement effect on the single-photon and two-photon absorption cross-section of the nanorods.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Hyon-Tae Pak, Jin-A Choe, Kyong-Sik Ju, Yong -Son Rim
Summary: Drug-loaded cellulose diacetate (CDA) membranes were prepared using different compositions of mixed solvent. The microstructure and performance of the membranes were investigated, and a method to predict drug release properties was proposed. The results showed that the composition of the mixed solvent significantly affected the overall performance of CDA membranes, and the release rates of drugs were related to Δdelta and the intrinsic viscosity of CDA.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Gabriella E. Ravin, E. Curotto
Summary: We have developed a systematic approach to optimize the training set sizes for neural networks in fitting ab initio potential energy surfaces. Using this approach, we have constructed several spectroscopic quality potential energy surfaces for [Li(H2)n]+, n = 1 - 9. The ground state properties have been computed for all the systems and selected states.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Guohua Xu, Lei Xu, Feng Zhang, Chunling Yu, Yu Song
Summary: NiS1.03@Ni7S6/carbon composite was successfully prepared using corn stalk as a carbon source via a simple adsorption-sulphurization process. The composite exhibited a specific capacitance of 1554.6 F/g at 1 A/g as a supercapacitor electrode, with a capacitance retention rate of 80.4% after 5000 cycles. Furthermore, the NiS1.03@Ni7S6/carbon//AC asymmetric supercapacitor showed a high energy density of 41.2 Wh kg-1 at a power density of 750 W kg-1, and excellent cycling stability with 86.8% capacitance retention after 10,000 cycles.
CHEMICAL PHYSICS LETTERS
(2024)
