Article
Chemistry, Multidisciplinary
Justyna Dominikowska, Agnieszka J. Rybarczyk-Pirek, Celia Fonseca Guerra
Summary: The investigation found that the triangular halogen-bonded motif exhibits weak cooperativity, while no cooperativity was found in halomesitylene trimers. Only in some structures, a very weak or weak synergy was found, with iodoform showing the most pronounced cooperativity.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Chemistry, Multidisciplinary
Sorraya Najma Kinza Lelouche, Laura Albentosa-Gonzalez, Pilar Clemente-Casares, Catalina Biglione, Antonio Rodriguez-Dieguez, Juan Tolosa Barrilero, Joaquin Calixto Garcia-Martinez, Patricia Horcajada
Summary: Two novel metal-organic frameworks (MOFs), IEF-23 and IEF-24, based on an antibacterial tricarboxylate linker and zinc or copper cations, were synthesized and characterized. The antibacterial activity of these MOFs against Staphylococcus epidermidis and Escherichia coli was investigated, showing higher activity against Staphylococcus epidermidis. This suggests the potential of these MOFs as antibacterial agents.
Article
Chemistry, Physical
C. A. Escobar, V Artigas, M. Bacho, A. Trujillo
Summary: This paper reveals the synthesis, crystal structure, and intermolecular interactions of Cy·CHCl3, which were validated through Hirshfeld surface analysis. The crystal structure exhibits pi-halogen intermolecular interactions and hydrogen bond interactions, contributing to the stability of the cell packing.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Inorganic & Nuclear
Simin Sheybani, Muhammad Abbas, Hamid R. Firouzi, Zhifeng Xiao, Hong-Cai Zhou, Kenneth J. Balkus Jr
Summary: A new fluoro-bridged rare-earth (RE) metal-organic framework was synthesized through the transformation of a dimeric complex with the bridging linker 1,3,5-tris(4-carboxyphenyl)benzene (H3BTB). The rare-earth metal ions Ho3+ and Gd3+ were also found to remove fluorine from other organo-fluorine compounds, resulting in the new fluorobridged RE-MOFs.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Lin-Lin Chen, Ya-Jie Shi, Wen-Wen Wu, Jia-Xin Wang, Ya-Min Li, Yan Bai, Dong-Bin Dang
Summary: Three new POM-based coordination polymers have been synthesized and characterized in this study. Compound 1 features a unique 3D framework structure, while compounds 2 and 3 have framework structures composed of different connectivity modes. In addition, high proton conductivity and antiferromagnetic behavior were observed in compounds 2 and 3.
Article
Chemistry, Multidisciplinary
Irina A. Khotina, Natalia S. Kushakova, Victoria G. Kharitonova, Daria V. Kupriyanova, Suria A. Babich, Alexey I. Kovalev
Summary: A second generation phenylene dendrimer was synthesized through cyclo-condensation method, which can transform into a substance with extremely heat-stable secondary structure upon heating to 600 degrees Celsius, retaining its aromatic structure at this temperature and converting into material with graphite-like structure when heated to 1000 degrees Celsius.
MENDELEEV COMMUNICATIONS
(2021)
Article
Chemistry, Inorganic & Nuclear
Ming-Xing Yang, Li-Juan Chen, Jing Gao, Yang Gao, Guang-Tao Yu, Shen Lin
Summary: The urothermal reactions of Co(ii)/Zn(ii) salts with diverse ligands led to the synthesis of three novel MOFs with different structures and adsorption properties.
DALTON TRANSACTIONS
(2022)
Article
Polymer Science
Ying-Jun Chen, Xue-Jing Zhai, Wei-Li Wu, Bo Li, Li-Ya Wang
Summary: In this study, a Cd(II)-based complex with a three-dimensional supramolecular framework has been synthesized hydrothermally. The complex exhibited good quenching effect on nitroaromatic compounds, especially on p-nitroaniline. The remarkable quenching efficiency of p-nitroaniline was found to be caused by effective electron transport according to density functional theory. As a fluorescent probe, this complex can be used to detect nitroaromatic chemicals.
JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS
(2023)
Article
Engineering, Environmental
Mengyao Li, Haifei Wan, Jingyong Xiong, Linyu Wang, Li Yang, Li Wang, Yonghai Song
Summary: A rigidity-flexibility combination strategy is proposed to edit the luminescence properties of LCOFs by using a flexible fluorescent 1,3,5-tris(phenylacetylene)benzene as center skeleton and linkers with different rigidity. The emission wavelengths of 1,3,5-tris(phenylacetylene)benzene-based LCOFs can be tuned by linkers, resulting in blue, green, yellow, orange and red light emission. This work provides a simple yet efficient method for systematically editing the emission behaviors of LCOFs.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Electrical & Electronic
Numbury Surendra Babu, Irene Octavian Riwa
Summary: This study investigated the properties of a series of 1,3,5-tris(diphenylamino) benzene derivatives used as hole transport materials in perovskite solar cells using density functional theory and TD/DFT procedures. It was found that HTM8 has the lowest HOMO energy level, indicating a favorable overlap with the MAPbI3 perovskite active layer.
OPTICAL AND QUANTUM ELECTRONICS
(2022)
Article
Crystallography
Aysenur Limon, Dustin N. Jordan, Till Strothmann, Laure P. Cuignet, Yann Garcia, Christoph Janiak
Summary: Three novel iron(II) coordination polymers were synthesized using the linker 1,3,5-tris((1H-1,2,4-triazol-1-yl)methyl)benzene (ttmb). The single-crystal structures revealed that all three compounds form a double-chain structure with the iron atoms being bridged by two ttmb linkers. The iron(II) ions are surrounded by N4 donor atoms from the triazole groups of ttmb, along with coordinating water or isothiocyanato ligands.
Article
Chemistry, Multidisciplinary
M. P. Davydova, I. Yu. Bagryanskaya, E. Kh. Sadykov, V. K. Brel
Summary: The reaction of 1,3,5-tris(diphenylphosphinylbenzene (L) with MnI2 in the presence of CuI leads to the formation of a complex. This complex has a distorted Mn@O-6 octahedral environment and an unprecedented structure of the {Cu5I7} framework. The synthesized complex exhibits weak photoluminescence attributed to cluster-centered phosphorescence from the iodocuprate anion.
RUSSIAN JOURNAL OF GENERAL CHEMISTRY
(2023)
Article
Cell Biology
Tanveer A. A. Wani, Seema Zargar
Summary: One of the top priorities in medicinal chemistry is the discovery of new molecules that have potential as anticancer agents. Compounds that interact with DNA, such as groove binders, alkylators, and intercalators, have shown promise as chemotherapeutic drugs for cancer treatment. This study focused on the anticancer drug 1,3,5-Tris(4-carboxyphenyl)benzene (H3BTB), which binds to DNA through groove binding and has demonstrated significant cytotoxic potential against breast and cervical cancer cell lines. Computational studies, including molecular docking and molecular dynamics simulations, supported the minor groove binding of H3BTB-DNA complex. This research will contribute to further empirical investigation into the synthesis of metallic and non-metallic derivatives of H3BTB and their potential as bioactive molecules for cancer treatment.
Article
Chemistry, Inorganic & Nuclear
Mustafa Burak Coban
Summary: A novel polynuclear LnIII coordination compound (1) with the formula {[Ho(BTB)(phen)].(DMF)}n has been synthesized and characterized. The compound exhibits a monoclinic crystal system and distorted square antiprismatic geometry. The solid-state photoluminescence measurements show a strong yellowish-orange emission in the visible region, making it a potential candidate for luminescent probes or OLEDs.
JOURNAL OF SOLID STATE CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Noriyuki Tsukahara, Jun Yoshinobu
Summary: We investigate the formation processes and structures of self-assembled layers of 1,3,5-tris(4-bromophenyl)benzene (TBB) molecules on Ag(111) and Si(111) (/3×/3)-Ag surfaces using STM measurements and DFT calculations. Our findings demonstrate that the interplay between intermolecular interaction and molecule-substrate interaction plays a crucial role in controlling the characteristic structures of the self-assembled layers on the surfaces.
Article
Chemistry, Physical
Fabien Silly, Maika Kawaura, Takumi Aizawa, Hayato Ouchi, Shiki Yagai
Summary: The self-assembled structures of a hydrogen-bonding oligo(thiophene) molecule functionalized with a barbiturate unit were investigated at different hierarchical levels. It was found that two distinct molecular self-assembly pathways exist, leading to the formation of rodlike and helical nanofibers.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Materials Science, Multidisciplinary
Erwan Bossavit, Junling Qu, Claire Abadie, Corentin Dabard, Tung Dang, Eva Izquierdo, Adrien Khalili, Charlie Greboval, Audrey Chu, Stefano Pierini, Mariarosa Cavallo, Yoann Prado, Victor Parahyba, Xiang Zhen Xu, Armel Decamps-Mandine, Mathieu Silly, Sandrine Ithurria, Emmanuel Lhuillier
Summary: Nanocrystals have been successfully integrated into optoelectronic devices, with the next challenge being the combination of multiple devices into a complex system for better on-chip integration. In this study, the focus is on an all-HgTe-NC active imaging setup in the short-wave infrared range. By optimizing the design of an IR LED and imaging the IR emission using a focal plane array, significant progress has been made towards all-NC-based active imaging setups.
ADVANCED OPTICAL MATERIALS
(2022)
Article
Chemistry, Physical
Mariam Ahmad, Dylan Amelot, Herve Cruguel, Bhushan R. Patil, Mehrad Ahmadpour, Erika Giangrisostomi, Ruslan Ovsyannikov, Mathieu G. Silly, Lenart Dudy, Morten Madsen, Nadine Witkowski
Summary: In this study, the exciton blocking/hole extraction behavior of the 4P-NPD interlayer in organic solar cell devices is confirmed and understood through in situ photoelectron spectroscopy studies, which provide detailed energy level alignment information.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Physical
Prachi Rastogi, Eva Izquierdo, Charlie Greboval, Mariarosa Cavallo, Audrey Chu, Tung Huu Dang, Adrien Khalili, Claire Abadie, Rodolphe Alchaar, Stefano Pierini, Herve Cruguel, Nadine Witkowski, James K. Utterback, Thibault Brule, Xiang Zhen Xu, Philippe Hollander, Abdelkarim Ouerghi, Bruno Gallas, Mathieu G. Silly, Emmanuel Lhuillier
Summary: This study improved the design of nanocrystal integration into focal plane arrays by introducing a CdSe layer, significantly enhancing the electrical performance and achieving high responsivity and specific detectivity.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Nanoscience & Nanotechnology
Charlie Greboval, Eva Izquierdo, Claire Abadie, Adrien Khalili, Mariarosa Cavallo, Audrey Chu, Tung Huu Dang, Huichen Zhang, Xavier Lafosse, Michael Rosticher, Xiang Zhen Xu, Armel Descamps-Mandine, Abdelkarim Ouerghi, Mathieu G. Silly, Sandrine Ithurria, Emmanuel Lhuillier
Summary: This study investigates the application of HgTe nanocrystals (NCs) in photodiodes using a SnO2/HgTe/Ag2Te structure. By optimizing the band alignment, the SnO2 layer filters out hole dark current while allowing photogenerated electrons to flow, resulting in enhanced rectifying behavior and high internal efficiency. The study also addresses the challenge of transferring the diode onto readout circuits and demonstrates the reversibility of the diode stack with a partially transparent conducting electrode on the top, maintaining device responsivity. Additionally, the SnO2 layer benefits electron injection and enhances electroluminescence signals.
ACS APPLIED NANO MATERIALS
(2022)
Article
Chemistry, Physical
Djawhar Ferrah, Jose Penuelas, Frederic Boudaa, Claude Botella, Mathieu Silly, Fausto Sirotti, Genevieve Grenet
Summary: In this paper, the key factors affecting the initial stages of growing nanowires by vapor-liquid-solid mechanism using gold as catalyst, including surface preparation of the silicon wafer, gold deposition, and subsequent annealing, were investigated. The results showed that gold deposited on clean Si formed a AuSi alloy at the surface, while on SiO2-covered Si, gold slightly sunk into the silica. During annealing, gold gradually sunk into the silica, catalyzing its decomposition. This resulted in local changes in surface potential and the eventual mixing of gold and silicon. These findings provide new insights into the vapor-liquid-solid mechanism and its role in nanowire growth.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Multidisciplinary Sciences
Corentin Dabard, Victor Guilloux, Charlie Greboval, Hong Po, Lina Makke, Ningyuan Fu, Xiang Zhen Xu, Mathieu G. Silly, Gilles Patriarche, Emmanuel Lhuillier, Thierry Barisien, Juan Climente, Benjamin T. Diroll, Sandrine Ithurria
Summary: The authors report on a double-crowned 2D semiconductor nanoplatelets as light downconverters, providing both green and red emissions to achieve a wide gamut. The ratio of the two emissions can be tuned by the incident power, and dual-color, power tunable emission can be obtained through electrical excitation.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Huichen Zhang, Rodolphe Alchaar, Yoann Prado, Adrien Khalili, Charlie Greboval, Mariarosa Cavallo, Erwan Bossavit, Corentin Dabard, Tung Huu Dang, Claire Abadie, Christophe Methivier, David Darson, Victor Parahyba, Pierre Potet, Julien Ramade, Mathieu G. Silly, James K. Utterback, Debora Pierucci, Sandrine Ithurria, Emmanuel Lhuillier
Summary: After the use of nanocrystals as light downconverters, infrared sensing emerges as a potential market application where they can be both electrically and optically active. Recent progress in the utilization of PbS nanocrystals has led to an apparent increase in technological readiness level (TRL). This study focuses on HgTe as it offers more flexibility to explore the extended short-wave and midwave infrared. A photoconductive strategy is presented for designing short-wave infrared focal plane arrays with improved image quality. Material stability, often overlooked in early stages, is found to be satisfactory for HgTe, with minimal oxidation under air operation.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Mariarosa Cavallo, Erwan Bossavit, Huichen Zhang, Corentin Dabard, Tung Huu Dang, Adrien Khalili, Claire Abadie, Rodolphe Alchaar, Dario Mastrippolito, Yoann Prado, Loic Becerra, Michael Rosticher, Mathieu G. Silly, James K. Utterback, Sandrine Ithurria, Jose Avila, Debora Pierucci, Emmanuel Lhuillier
Summary: As nanocrystal-based optoelectronics advances, there is a need for advanced techniques to reveal the electronic structure of nanocrystals, especially under device-relevant conditions. Previous efforts have mainly focused on optical spectroscopy and electrochemistry, which require an absolute energy reference. In this study, we explored the use of photoemission microscopy as a strategy for investigating nanocrystal-based devices in real-time. The method was found to be applicable to different materials and device geometries, providing direct access to important information such as metal-semiconductor interface band bending and gate effect propagation distance.
Article
Biochemistry & Molecular Biology
David Peyrot, Fabien Silly
Summary: The ability to engineer complex two-dimensional tessellation organic nanoarchitectures based on triangular molecules and on-surface-synthesized covalent multimers is investigated using scanning tunneling microscopy. Self-assembly into a semi-regular rhombitrihexagonal tiling superstructure is achieved when 1,3,5-Tris(3,5-dibromophenyl)benzene molecules are deposited on a high-temperature Au(111) surface. The experimental observations reveal that the desired perfect semi-regular rhombitrihexagonal tiling cannot be engineered due to the absence of covalent hexagon building blocks coexisting with the other required organic building blocks.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Multidisciplinary
Emilio Velez-Fort, Philippe Ohresser, Mathieu G. Silly, Jacques Bonvoisin, Fabien Silly
Summary: The structural and magnetic properties of a drop-cast film of flat C54H34Br4CuO4 on a graphite surface were investigated. Experimental results showed that the Cu-complexes preferentially laid flat on the graphite surface and the film remained paramagnetic at low temperatures with the magnetization axis perpendicular to the graphite surface and perpendicular to the plane of the Cu-complex skeleton.
Article
Chemistry, Multidisciplinary
Fabien Silly, Changzhi Dong, Francois Maurel, Xiaonan Sun
Summary: TDPT is an achiral molecule with two enantiomerically oriented motifs when adsorbed on a surface. Two types of building blocks, enantiomer-pure block I and enantiomer-mixed block II, are formed. The organization of these building blocks leads to the formation of sophisticated nanowaves that evolve into more close packed nanowires. This study provides insights into the control and origin of chiral assemblies and transitions.
Article
Chemistry, Physical
Prachi Rastogi, Eva Izquierdo, Charlie Greboval, Mariarosa Cavallo, Audrey Chu, Tung Huu Dang, Adrien Khalili, Claire Abadie, Rodolphe Alchaar, Stefano Pierini, Herve Cruguel, Nadine Witkowski, James K. Utterback, Thibault Brule, Xiang Zhen Xu, Philippe Hollander, Abdelkarim Ouerghi, Bruno Gallas, Mathieu G. Silly, Emmanuel Lhuillier
Summary: Researchers have developed a new photodiode design that integrates nanocrystals into focal plane arrays, achieving efficient charge dissociation and low dark current. By introducing a thin and strongly coupled CdSe layer, the electrical performance of the diode is significantly improved.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Materials Science, Multidisciplinary
Benjamin Meunier, Suvidyakumar Homkar, Fadi Choueikani, Mathieu G. Silly, Christophe Lefevre, Francois Roulland, Cedric Leuvrey, Jerome Robert, Daniele Preziosi, Nathalie Viart
Summary: Temperature dependent x-ray absorption spectroscopy and x-ray magnetic circular dichroism experiments were used to analyze the magnetic orbital moment and spin-orbit coupling behavior in the multiferroic compound Ga0.6Fe1.4O3 (GFO). The results showed a nonmonotonous behavior for both the magnetic orbital moment and spin-orbit coupling, with a minimum at approximately 120 K.
Article
Chemistry, Physical
Anu Baby, Guillaume Marcaud, Yannick J. Dappe, Marie D'Angelo, Jean-Louis Cantin, Mathieu G. Silly, Guido Fratesi
Summary: This study investigates the adsorption behavior of phthalocyanine (H2Pc) molecules on the 6H-SiC(0001)-(3 x 3) surface, proposing a new adsorption model Si-phthalocyanine (SiPc) that is both energetically more stable and shows better agreement between experimental and simulated spectra, suggesting the potential for on-surface synthesis of SiPc molecules on this surface.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
