Article
Chemistry, Multidisciplinary
Laura Pedraza-Gonzalez, Edoardo Cignoni, Jacopo D'Ascenzi, Lorenzo Cupellini, Benedetta Mennucci
Summary: In response to varying light conditions, light-harvesting complexes (LHCs) undergo conformational changes to protect the photosynthetic organism from excessive light irradiation. Activation of the non-photochemical quenching (NPQ) mechanism is triggered by the acidification of the thylakoid lumen, resulting in a switch from a light-harvesting state to a quenched state. The pH sensitivity of the complex is driven by protonation of specific residues, and the quenching mechanism is controlled by a charge-transfer process controlled by the protein conformation.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Minjung Son, Raymundo Moya, Alberta Pinnola, Roberto Bassi, Gabriela S. Schlau-Cohen
Summary: Plants utilize photoprotection to dissipate excess energy from the sun in order to prevent the generation of harmful photoproducts. Factors such as array size, pH drop, and the presence of carotenoids influence the level of dissipation, providing separate control mechanisms for photoprotection. Understanding these factors allows for a flexible and tunable response to fluctuations in solar energy.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Multidisciplinary Sciences
Robert H. Temperton, Meiyuan Guo, Giulio D'Acunto, Niclas Johansson, Nils W. Rosemann, Om Prakash, Kenneth Warnmark, Joachim Schnadt, Jens Uhlig, Petter Persson
Summary: The Resonant Photoelectron Spectroscopy (RPES) analysis of two photoactive iron N-heterocyclic carbene complexes reveals the significant impact of iron oxidation state on electronic structure, highlighting differences between Fe-III photosensitizers and traditional Fe-II complexes. The study shows strong mixing of Fet(2g) levels with occupied ligand pi orbitals but weak mixing with unoccupied ligand orbitals, emphasizing the importance of pi-accepting and -donating considerations in ligand design strategies for photofunctional iron carbene complexes. Spin-propensity as a final-state effect and vibronic coupling are also observed in the complexes.
SCIENTIFIC REPORTS
(2021)
Article
Chemistry, Physical
Ashley M. Hancock, Minjung Son, Muath Nairat, Tiejun Wei, Lars J. C. Jeuken, Christopher D. P. Duffy, Gabriela S. Schlau-Cohen, Peter G. Adams
Summary: Light-Harvesting Complex II (LHCII) is a membrane protein that plays a crucial role in absorbing solar energy and transferring it to Photosystem II. A recent study enhanced absorption in the green spectral region by organizing TR and LHCII into a lipid nanodisc. Fluorescence spectroscopy showed a 60% efficiency in energy transfer and a 262% enhancement of LHCII fluorescence in the 525-625 nm range, with ultrafast transient absorption spectroscopy revealing two time constants for energy transfer. Structural modeling and theoretical calculations indicated different separations for TR-to-LHCII interactions, showcasing the potential of the nanodisc-based biohybrid system in exploring photophysical interactions between chromophores and membrane proteins.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Biochemistry & Molecular Biology
Jie Wang, Long-Jiang Yu, Wenda Wang, Qiujing Yan, Tingyun Kuang, Xiaochun Qin, Jian-Ren Shen
Summary: Photosystem I (PSI), a crucial component in photosynthesis, has been structurally analyzed in complex with light-harvesting complex I (LHCI) to reveal the arrangement of proteins, cofactors, and newly identified lipid molecules. The research sheds light on the mechanisms of light-energy harvesting, transfer, and supercomplex assembly.
JOURNAL OF INTEGRATIVE PLANT BIOLOGY
(2021)
Article
Multidisciplinary Sciences
Dan-Hong Li, Wenda Wang, Cuicui Zhou, Yan Zhang, Songhao Zhao, Yi-Ming Zhou, Rong-Yao Gao, Hai-Dan Yao, Li-Min Fu, Peng Wang, Jian-Ren Shen, Tingyun Kuang, Jian-Ping Zhang
Summary: The light-harvesting complex II (LHCII) of Bryopsis corticulans differs in chlorophyll and carotenoid compositions from that of spinach. Using time-resolved absorption spectroscopy, we investigated the ultrafast excitation dynamics of B-LHCII. Our results showed rapid photogeneration of Chl-Chl charge transfer (CT) species and revealed the transfer of singlet excitation between different chlorophyll and carotenoid molecules. The induction of Chl-Chl CT species by red-light excitation is a common occurrence for LHCIIs in light-harvesting form, as observed in S-LHCII.
Article
Chemistry, Inorganic & Nuclear
Dusan Valigura, Cyril Rajnak, Jan Titis, Jan Moncol, Roman Boca, Atina Bienko
Summary: A hexacoordinate Cu(II) complex with intermolecular pi-pi stacking forms a 1D-chain structure. The DC magnetic data follow the Curie law at low temperature. AC susceptibility exhibits a field supported slow magnetic relaxation.
DALTON TRANSACTIONS
(2022)
Article
Plant Sciences
Guangxi Wu, Lin Ma, Cai Yuan, Jiahao Dai, Lai Luo, Roshan Sharma Poudyal, Richard T. Sayre, Choon-Hwan Lee
Summary: In this study, it was found that in dark-adapted rice leaves, the light-harvesting complex II (LHCII) becomes phosphorylated and forms supercomplexes under low light conditions, which transition to aggregates under high light conditions. Knockout mutants of protein phosphatase 1 (PPH1) failed to form these LHCII aggregates, indicating their role in dissipating excess light energy. The aggregation of dephosphorylated LHCII in LHCII-PSI-LHCI supercomplexes was proposed as a newly observed photoprotective process in early HL acclimation in rice plants.
JOURNAL OF EXPERIMENTAL BOTANY
(2021)
Article
Chemistry, Physical
Kazuhiro J. Fujimoto, Takumi Minoda, Takeshi Yanai
Summary: This study theoretically investigates excited states of two types of bacteriochlorophyll aggregates in photosynthetic light-harvesting complexes, revealing that the spectral redshift of B800 is mainly due to electrostatic interaction while that of B850 is attributed to excitonic coupling. Additionally, interchromophore charge transfer plays a crucial role in the spectral redshift of B850.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Chemistry, Physical
Chengmei Jiang, Chengxin He, Rongzhou Lin, Xunjia Li, Qiang Zhao, Yibin Ying, Jizhou Song, Jianfeng Ping
Summary: This study investigates the influence of protein structure on the triboelectric charging behavior using a typical plant protein of rice glutelin as a model. The researchers discovered that the secondary structure of the protein strongly affects its triboelectric property and developed a method to manipulate the triboelectric performance. The findings highlight the potential of proteins as biomaterials in sustainable triboelectric electronic applications.
Article
Chemistry, Physical
Sayan Maity, Pooja Sarngadharan, Vangelis Daskalakis, Ulrich Kleinekathoefer
Summary: This paper presents a new method for studying photosynthesis, focusing on the spectral densities of pigments in the CP29 complex of photosystem II. The role of pigments in the excitation energy transfer process is investigated, and the obtained spectral densities are compared with other light-harvesting complexes.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Nan Gong, Runchen Lai, Shiyu Xing, Zhengzheng Liu, Junyao Mo, Tao Man, Zicheng Li, Dawei Di, Juan Du, Dezhi Tan, Xiaofeng Liu, Jianrong Qiu, Beibei Xu
Summary: This study proposes a novel strategy to enhance triplet-triplet annihilation upconversion (TTA-UC) by incorporating ionic-bonded CsPbBr3 and lanthanide Ce3+ ions into composite nanocrystals. This electronic state engineering increases the population of triplet excitons participating in energy transfer, enhances coupling strength and driving force, and ultimately leads to a nonlinear enhancement of UC efficiency. The findings clarify the functions of electronic state engineering in inorganic sensitizers and TTA-UC.
Article
Chemistry, Inorganic & Nuclear
Kaiyue Ye, Peili Wang, Minjie Li, Yuqi Hou, Jianzhang Zhao, Yan Wan
Summary: We synthesized a N boolean AND N Pt(II) bisacetylide complex with strong absorption of visible light (molar absorption coefficients epsilon=6.7x10(4) M-1 cm(-1) at 570 nm) and high singlet oxygen quantum yield (phi(Delta) = 78% ). The complex exhibits an intersystem crossing (ISC) of 81.8 ps and a triplet excited state lifetime of 7.6 μs. Density functional theory (DFT) calculations revealed that the S-1 and T-1 states are mainly localized on the perylenemonoimide (PMI) ligands, with noticeable involvement of the Pt(II) center. The complex acts as a triplet photosensitizer to generate delayed fluorescence with perylenebisimide (PBI) via triplet-triplet energy transfer (TTET) and triplet-triplet annihilation (TTA), resulting in a delayed fluorescence lifetime of 52.5 μs under the experimental conditions.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Cui Wang, Christina Wegeberg, Oliver S. Wenger
Summary: We report the first example of sensitized triplet-triplet annihilation upconversion (sTTA-UC) based on a 3d(6) metal photosensitizer, which shows comparable performance to precious metal-based analogues. The study provides a proof-of-concept for the application of first-row analogues in photochemical reactions triggered by excitation wavelengths close to near-infrared.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Lei Ye, Yanping Liu, Qiaohui Zhou, Weijian Tao, Yujie Li, Zukun Wang, Haiming Zhu
Summary: Hybrid heterostructures combining organic and 2D layered semiconductors show great potential for light harvesting and optoelectronic applications. Particularly, organic materials displaying singlet fission (SF) are appealing due to their ability to generate two triplet excitons from one singlet exciton. However, successful SF-enhanced devices require careful design to ensure efficient singlet exciton transfer and competition with direct energy/charge transfer.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Engineering, Environmental
Mohaned Hammad, Steven Angel, Ahmed K. Al-Kamal, Anam Asghar, Amin Said Amin, Mena-Alexander Kraeenbring, Haakon T. A. Wiedemann, Vineetha Vinayakumar, Md Yusuf Ali, Paolo Fortugno, Cheolyong Kim, Torsten C. Schmidt, Christopher W. M. Kay, Christof Schulz, Doris Segets, Hartmut Wiggers
Summary: This study develops a scalable method to synthesize stable and environmentally-friendly LaCoO3/graphene nanocomposites for the removal of organic pollutants from wastewater. The catalyst exhibits outstanding catalytic degradation of various pollutants and excellent reusability and pH adaptability. The formation of composites prevents cobalt leaching and enhances the catalytic activity. The results suggest that LaCoO3/graphene is a promising material for environmental remediation.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Debdeep Mandal, T. Ilgin Demirer, Tetiana Sergeieva, Bernd Morgenstern, Haakon T. A. Wiedemann, Christopher W. M. Kay, Diego M. Andrada
Summary: Nucleophilic low-valent Al-I aluminyl anions have been found to undergo oxidative additions to the benzene ring, rather than C-H bond activation. By electron reduction of a ligand stabilized precursor in benzene, a double addition to the benzene ring occurs, resulting in the formation of cyclohexa-1,3(orl,4)-dienes. X-ray crystallographic analysis, EPR spectroscopy, and DFT results confirm the involvement of a stable Al-II radical intermediate in this reaction, which is attributed to a rigid scaffold and strong steric protection.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Engineering, Environmental
Xin Li, Zhenhang He, Zhen Liu, Yu Chen, Zekun Zhou, Guixiang Chen, Weiheng Qi, Daniel Rauber, Christopher W. M. Kay, Peng Zhang
Summary: Post-treatment-free polymer hybrids of PEDOT:PSS and ILs were fabricated for TE applications. By optimizing ILs' molar concentration and chemical composition, high TE performance was achieved due to the conductive network formed by molecular and microstructural factors. The conductive paths were shown to be made of rod-like microdomains, enabling carrier transport among microdomains. These hybrids also exhibited good environmental and mechanical stability for the fabrication of flexible TE generators.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Federica Lodesani, Maria Cristina Menziani, Shingo Urata, Alfonso Pedone
Summary: Metadynamics simulations revealed three alternative pathways for the crystallization of lithium disilicate crystal from the melt. The most favorable one involves the formation of disordered layered structures followed by internal ordering. The second pathway includes the formation of phase-separated structures composed of beta-cristobalite nuclei surrounded by lithium-rich phases. The third pathway is highly unlikely due to the large energy barrier involved.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Biochemistry & Molecular Biology
Alessandro Agostini, David Bina, Donatella Carbonera, Radek Litvin
Summary: Detailed information on photo-generated triplet states of diatom and haptophyte Fucoxanthin Chlorophyll-binding Proteins (FCPs and E-FCPs) has been obtained through a combined spectroscopic investigation. The study reveals a shared photoprotective triplet-triplet energy transfer pathway in these proteins involving a specific Fucoxanthin site.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
(2023)
Article
Chemistry, Multidisciplinary
Anna Michaely, Oliver Janka, Elias C. J. Giesselmann, Robert Haberkorn, Haakon T. A. Wiedemann, Christopher W. M. Kay, Guido Kickelbick
Summary: This study investigates the fast mechanochemical reduction of rutile-type TiO2 and H-Nb2O5 to their partially reduced black counterparts using NaH and LiH as reducing agents. The milling time and oxide to reducing agent ratio significantly influence the amount of reduced metal ions in the materials. LiH shows a higher reducing potential than NaH for both oxides. The intercalation of Li+ into the structure of the oxides was confirmed by PXRD, Rietveld refinements, and Li-6 solid-state NMR spectroscopy. The reduced oxides exhibit a decreased band gap, the presence of unpaired electrons, and enhanced photocatalytic performance compared to the pristine oxides.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Physical
Yu-Kai Liao, Valeria Lagostina, Enrico Salvadori, Martin Hartmann, Andreas Poeppl, Mario Chiesa
Summary: Engineering two cooperative sites in a catalyst can lead to synergistic effects due to short-range electronic interactions between two metal components. However, obtaining these interactions and structure-property correlations is often challenging. In this study, hyperfine spectroscopy was used to detect V4+-O-Mo6+ linkages and assess spin density transfer between paramagnetic V4+ species and proximal oxo-bridged Mo6+ metal ions. The research demonstrated the presence of well-defined bimetallic V-O-Mo structures by preparing dimer species through adsorption, thermal decomposition, oxidation, grafting, hydrolysis, and dehydration processes. X- and Q-band EPR and HYSCORE experiments provided direct evidence of spin delocalization over Al-27, P-31, Mo-95, and Mo-97 nuclei.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Plant Sciences
Stefano Santabarbara, Alessandro Agostini, Anastasia A. A. Petrova, Marco Bortolus, Anna Paola Casazza, Donatella Carbonera
Summary: Photo-induced triplet states in the thylakoid membranes of Acaryocholoris marina, a cyanobacterium with Chl d as its main chromophore, were investigated using ODMR and TR-EPR. Four Chl d triplet populations were detected under ambient redox conditions, and-T3 became dominant after illumination with TMPD and ascorbate. Another triplet population -T4 was also observed with an intensity ratio of 1:4 compared to -T3. TR-EPR experiments indicated that these triplets were formed by intersystem crossing and bleached the P-740 singlet state in the PSI reaction center.
PHOTOSYNTHESIS RESEARCH
(2023)
Article
Nanoscience & Nanotechnology
P. Ragonese, B. Kalinic, L. Franco, L. Girardi, B. M. Fernandez Perez, D. Carbonera, G. Mattei, G. -A. Rizzi, C. Maurizio
Summary: This study focuses on Co3O4/SiOx/Si and NiO/SiOx/Si photoanodes and reveals that defects in the native SiOx layer significantly affect the onset of photocurrent. Vacuum annealing can eliminate some defects and improve the photovoltage and charge transfer efficiency.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Arianna Actis, Michele Melchionna, Giacomo Filippini, Paolo Fornasiero, Maurizio Prato, Mario Chiesa, Enrico Salvadori
Summary: Time-resolved EPR technique was used to study the formation of well-defined spin triplet excitons in carbon nitride. The mobility of the triplet excitons was revealed through the analysis of temperature-dependent TR-EPR signal. It was found that the energy of the spin triplet is approximately 0.2 eV higher than the conduction band edge, suggesting the inversion of singlet-triplet in carbon nitride materials. This study provides important insights into the response of carbon nitride to light and the nature of photoexcited states.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Biochemistry & Molecular Biology
Alessandro Agostini, Gaozhong Shen, Donald A. Bryant, John H. Golbeck, Art van der Est, Donatella Carbonera
Summary: This study reveals the differences in photochemistry between ChlF and PSII in cyanobacteria undergoing far red light photoacclimation (FaRLiP). Specifically, the triplet state of P680 formed by intersystem crossing is the primary species generated by light excitation in untreated ChlF samples, whereas in PSII, 3P680 is only formed when the quinone acceptors are removed or chemically reduced. Additionally, the study shows the involvement of carotenoid and a small amount of Chl f in the photochemistry process.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
(2023)
Article
Biochemical Research Methods
Angelo Carella, Susanna Ciuti, Haakon T. A. Wiedemann, Christopher W. M. Kay, Arthur van der Est, Donatella Carbonera, Antonio Barbon, Prashanth K. Poddutoori, Marilena Di Valentin
Summary: In this study, the photoexcited triplet state of octaethylaluminum(III)-porphyrin (AlOEP) was investigated using various techniques. The results show that the magnetic resonance properties of AlOEP are influenced by the presence of a dynamic process, resulting in temperature-dependent zero-field splitting parameters and hyperfine coupling tensor components. These findings contribute to a better understanding of AlOEP and its potential applications.
JOURNAL OF MAGNETIC RESONANCE
(2023)
Article
Chemistry, Multidisciplinary
Miriam Marchi, Edoardo Raciti, Sai Manoj Gali, Federica Piccirilli, Hendrik Vondracek, Arianna Actis, Enrico Salvadori, Cristian Rosso, Alejandro Criado, Carmine D'Agostino, Luke Forster, Daniel Lee, Alexandre C. Foucher, Rajeev Kumar Rai, David Beljonne, Eric A. Stach, Mario Chiesa, Roberto Lazzaroni, Giacomo Filippini, Maurizio Prato, Michele Melchionna, Paolo Fornasiero
Summary: The manipulation of carbon nitride (CN) structures through microwave treatment enhances the activity of CN-based photocatalysts for Ni dual photocatalysis. This approach improves the efficiency of C-X (X = N, S, O) couplings in organic synthesis reactions. The formation of carbon vacancies and subsequent evolution into triazole and imine N species play a crucial role in the enhanced reactivity of the material.
Article
Chemistry, Multidisciplinary
Daniel Schroeder, Frederik Philippi, Daniel Schroeder, Bernd Morgenstern, Andrew J. P. White, Marlon Jochum, Tom Welton, Christopher W. M. Kay
Summary: Traditional room temperature ionic liquids typically contain asymmetric organic cations, but the synthesis and purification of such cations are more demanding. This study introduces novel room temperature ionic liquids with formally symmetric cations and anions, achieved by incorporating ether-containing side chains that increase configurational entropy. The research challenges the long-standing paradigm that at least one asymmetric ion is required for ionic liquids to be molten at room temperature, and offers simpler design pathways for these materials.
Article
Chemistry, Physical
Agostino Migliore, Stefano Corni, Alessandro Agostini, Donatella Carbonera
Summary: The influence of carotenoid triplet states on the Q(y) electronic transitions of chlorophylls has been explained through a comparative study of chlorophyll-carotenoid model dyads and larger pigment complexes. The results suggest that singlet-like triplet excitations on chlorophylls influenced by a stable electronic triplet on the carotenoid determine the spectral feature in the triplet minus singlet (T-S) absorption spectra of photosystems.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
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)