Article
Chemistry, Physical
Difei Zhang, Wenkai Zhong, Lei Ying, Baobing Fan, Meijing Li, Ziqi Gan, Zhaomiyi Zeng, Dongcheng Chen, Ning Li, Fei Huang, Yong Cao
Summary: Research demonstrates that utilizing quasi-orthogonal solvents in traditional planar heterojunction structures can overcome limitations of nanoscale phase separation in bulk-heterojunction organic solar cells, leading to an improved power conversion efficiency of 14.2%. Additional experiments confirm the key factors in forming optimal nanoscale morphology.
Article
Chemistry, Multidisciplinary
Kamil A. Ivshin, Kirill Metlushka, Anton Fedonin, Shamil K. Latypov, Vera V. Khrizanforova, Yulia H. Budnikova, Alexander E. Vandyukov, Airat G. Kiiamov, Artem Laskin, Stanislav M. Avdoshenko, Martin Knupfer, Olga Kataeva
Summary: A series of charge transfer cocrystals composed of methyl substituted anthracenes (MeAnt or Me2Ant) and FxTCNQ (x = 0, 1, 2) were synthesized. The crystal packing is influenced by various interactions, including pi-pi, F center dot center dot center dot H, N center dot center dot center dot H, and F center dot center dot center dot F interactions, as well as the steric effect of the methyl substituents. The introduction of methyl groups into the donor molecules promotes a skewed overlap mode, dipole-dipole interactions, and a three-dimensional network of intermolecular interactions.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Multidisciplinary
Pradeep R. Varadwaj, Arpita Varadwaj, Helder Marques, Koichi Yamashita
Summary: The signs of the extrema of the molecular electrostatic surface potential (MESP) are effective indicators of the surface reactivity behavior of molecules. In this paper, the MESP model is used to explore the highly-valued delocalized systems of fullerenes, carbon nanotubes, and allotropes of graphene, revealing electron-rich and electron-deficient p-regions. These regions can exhibit efficient p-hole acceptor and tetrel bond donor behavior, forming molecular complexes or supramolecular assemblies in crystalline phases. The concept is illustrated through the investigation of dimers formed by C-20, C-60, and C-70 fullerene systems with diatomic molecules.
Article
Chemistry, Multidisciplinary
Bingyu Huang, Xiannong Tang, Yaoshuai Hong, Longbin Li, Ting Hu, Kai Yuan, Yiwang Chen
Summary: This study presents a proof-of-concept method to construct 1,4,8,11-tetraaza[14]annulene (TAA)-based polymer nanocomposites with well-managed electronic microenvironment through altering electron-donors/acceptors interaction. The optimal -Cl substituted catalyst (CoTAA-Cl@GR) shows excellent performance in oxygen reduction reaction (ORR) due to its tailored interaction with Co-N-4 sites. The combination of in situ scanning electrochemical microscopy and variable-frequency square wave voltammetry techniques further reveals the high kinetics of CoTAA-Cl@GR and provides theoretical guidance for rational design of high-performance catalysts for ORR.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Fengyi Yang, Jiali Chen, Yuying Fu, Junwen Wang, Jinjian Liu
Summary: Four novel supramolecules based on viologen moiety and different benzenecarboxylic acids were synthesized. These materials exhibit obvious photochromic behaviors upon UV irradiation and possess photo-controlled fluorescence and inkless and erasable printing capabilities.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Multidisciplinary
Petra Stanic, Ivana Niksic-Franjic, Luka Pavic, Kresimir Molcanov
Summary: Five charge transfer complexes of electron donor N,N,N',N'-tetramethyl-p-phenylenediamine with quinoid electron acceptors were prepared and studied. X-ray crystallography, impedance spectroscopy, and DFT computations were employed in the investigation. Mixed donor-acceptor pi-stacks were observed in all compounds. All moieties had a partial radical character due to charge transfer.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Multidisciplinary
Malik L. Williams, Itai Schlesinger, Robert M. Jacobberger, Michael R. Wasielewski
Summary: The study reveals subnanosecond triplet formation in one-dimensional cofacial pi stacks of D-A cocrystals, showing a correlation between SOCT-ISC rates and charge delocalization in CT exciton states. Time-resolved EPR spectroscopy further investigates the recombination of Cor and Pyr with C5PDI and NDA to form triplet excitons.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Review
Chemistry, Multidisciplinary
Jinfeng Ge, Lin Xie, Ruixiang Peng, Ziyi Ge
Summary: The emergence of Y-series nonfullerene acceptors has significantly improved the power conversion efficiency of all-small-molecule organic solar cells from 12% to 17%. This improvement is attributed to the exceptional properties of the Y-series acceptors and the successful development of small-molecule donors. The optimization of short-circuit current density, fill factor, and nonradiative recombination has led to unprecedented values, distinguishing these ASM-OSCs from ITIC-series based ones.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Addi Dana Sanchez-Pacheco, Monica Hernandez-Vergara, Everardo Jaime-Adan, Simon Hernandez-Ortega, Jesus Valdes-Martinez
Summary: The compound (E)-N-(2,4-difluorophenyl)-1-(4-pyridinyl)methanimine monohydrate was synthesized and characterized, showing non-classical C-H···X hydrogen bonds and pi-pi stacking interactions. The crystal structure revealed significant intermolecular interactions such as hydrogen bonds and pi-pi stacking, which are crucial for understanding the crystal structures.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Physics, Applied
John L. Lyons
Summary: This study examines the stability of hole polarons in a range of ultrawide-bandgap oxides and finds that holes spontaneously self trap in all oxides, with acceptor impurities further stabilizing these trapped holes. The results suggest that achieving p-type conductivity in these oxides, except for GeO2, is unlikely.
JOURNAL OF APPLIED PHYSICS
(2022)
Review
Chemistry, Physical
Jan Vacek, Martina Zatloukalova, Martin Kabelac
Summary: This opinion discusses the redox transformations of bioactive electron donors and acceptors, particularly reactive electrophiles. The mutual balance and cooperative effects of antioxidant/prooxidant enzymes play a vital role in maintaining cell redox homeostasis. Electrochemical approaches are crucial for investigating the physicochemical properties, stability/reactivity, and interactions of these molecules with cellular components. The interaction of electron donors/acceptors is fundamental to understanding complex and dynamic systems involved in homeostasis control and cellular response to stress conditions.
CURRENT OPINION IN ELECTROCHEMISTRY
(2022)
Article
Chemistry, Physical
Weiya Zhu, Zhongxin Chen, Jiaxing Huang, Weixuan Liang, Chenghui Liao, Jingwen Wang, Tian Du, Yunfeng Deng, Gongqiang Li, Runfeng Chen, Xiaobin Peng, Jianhui Hou, Yuan Li
Summary: The inherent open-shell singlet ground state of all donors with electron spin resonance signals is revealed, while the highly efficient non-fullerene acceptors are almost electron spin resonance-silent. The ground state can be easily tuned between open-shell and closed-shell by changing the quinoidal character of the conjugated backbone. This study provides a new perspective for understanding the molecular structure of active materials in organic solar cells.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Christos Gatsios, Andreas Opitz, Dominique Lungwitz, Ahmed E. Mansour, Thorsten Schultz, Dongguen Shin, Sebastian Hammer, Jens Pflaum, Yadong Zhang, Stephen Barlow, Seth R. Marder, Norbert Koch
Summary: Surface molecular doping of organic semiconductors is crucial in the development of organic electronic or optoelectronic devices. This study reveals that surface molecular doping can effectively control the Fermi level position of rubrene single crystals while maintaining good charge-carrier mobility.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
S. G. Pavlov, N. V. Abrosimov, H. -W. Huebers
Summary: The energy spectra of lithium-related donors in silicon were studied by temperature-dependent infrared absorption spectroscopy. The valley-orbit splitting of an interstitial isolated lithium donor and its complex with residual oxygen were determined. The absorption spectra of lithium-oxygen donors showed a similar temperature evolution to that of substitutional single-electron group-V donors, but the valley-orbit splitting was corrected to +9.865(5) meV. The previously reported inverted valley-orbit splitting of the lithium donor was not confirmed, instead, the chemical shift of its ground state was corrected to 1.82(2) meV. Intracenter transitions from the split-off ground state of the lithium donor exhibited anomalous broadening, and higher excited states were observed in moderately doped samples.
Article
Nanoscience & Nanotechnology
Zi Li, Huifeng Yao, Wenxuan Wang, Chang Eun Song, Du Hyeon Ryu, Yang Xiao, Jingwen Wang, Lijiao Ma, Tao Zhang, Junzhen Ren, Cunbin An, Won Suk Shin, Jianhui Hou
Summary: Designing efficient non-fused ring electron acceptors is crucial for reducing the material cost of organic photovoltaic cells. In this study, two non-fused electron acceptors based on bithieno[3,2-b]thiophene units were designed, and the impact of steric hindrance on molecular planarity was investigated. The results showed that enhanced steric hindrance improved the planarity of the molecules, leading to higher optical absorption and charge transport properties. This research highlights the importance of controlling molecular planarity through modulation of steric hindrance for achieving excellent photovoltaic performance of low-cost non-fused electron acceptors.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Dominique Lungwitz, Ahmed E. Mansour, Yadong Zhang, Andreas Opitz, Stephen Barlow, Seth R. Marder, Norbert Koch
Summary: The ability to form multi-heterolayer (opto)electronic devices by solution processing of semiconducting polymer layers is of great interest, but it poses challenges for multilayer deposition. Two mechanisms, including doping-induced pre-aggregation and the use of a photo-reactive agent, are found to enhance the solvent resistance of solution-processed doped polymer layers while retaining the dopants. For molecularly doped poly(3-hexylthiophene-2,5-diyl) and poly[2,5-bis(3-tetradecyl-thiophene-2-yl)thieno(3,2-b)thiophene] layers, pre-aggregation plays a major role in enhancing solvent resistance, but limits the use of a cross-linking agent. However, by suppressing pre-aggregation, high resistance to solvent and retained electrical conductivity can be achieved using a tris(azide) cross-linking agent.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
E. Georgopoulou-Kotsaki, P. Pappas, A. Lintzeris, P. Tsipas, S. Fragkos, A. Markou, C. Felser, E. Longo, M. Fanciulli, R. Mantovan, F. Mahfouzi, N. Kioussis, A. Dimoulas
Summary: The 2D van der Waals ferromagnetic metals FexGeTe2 with x = 3-5 have attracted significant attention. In this study, epitaxial Fe5-dGeTe2 (FGT) heterostructures were grown on insulating crystalline substrates using Molecular Beam Epitaxy (MBE). The addition of Bi2Te3 topological insulator (TI) to FGT films significantly enhanced the saturation magnetization and Curie temperature (Tc), with record values of 570 K obtained.
Article
Physics, Multidisciplinary
Daniel S. S. Sanchez, Tyler A. A. Cochran, Ilya Belopolski, Zi-Jia Cheng, Xian P. Yang, Yiyuan Liu, Tao Hou, Xitong Xu, Kaustuv Manna, Chandra Shekhar, Jia-Xin Yin, Horst Borrmann, Alla Chikina, Jonathan D. D. Denlinger, Vladimir N. N. Strocov, Weiwei Xie, Claudia Felser, Shuang Jia, Guoqing Chang, M. Zahid Hasan
Summary: The classification of electronic phases is based on two prominent paradigms: correlations and topology. Electron correlations lead to superconductivity and charge density waves, while the Berry phase gives rise to electronic topology. The combination of these two paradigms has prompted the search for electronic instabilities near the Fermi level of topological materials. This study identifies the electronic topology of chiral fermions as the driving force behind van Hove singularities that host electronic instabilities in the surface band structure.
Article
Materials Science, Multidisciplinary
Jie Ma, Patrick Amsalem, Thorsten Schultz, Xiaomin Xu, Norbert Koch
Summary: Combining transition metal dichalcogenides (TMDCs) with molecular semiconductors allows for the formation of van der Waals heterostructures with unique optoelectronic properties. A strong p-type molecular dopant, F(6)TCNNQ, is used to create a van der Waals interface with a WS2 monolayer, resulting in no strong interaction or charge transfer. However, the presence of defects in the WS2 monolayer induces strong n-type doping and leads to pronounced charge transfer upon F(6)TCNNQ adsorption.
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE
(2023)
Article
Physics, Multidisciplinary
Tyler A. Cochran, Ilya Belopolski, Kaustuv Manna, Mohammad Yahyavi, Liu Yiyuan, Daniel S. Sanchez, Cheng Zi-Jia, Xian P. Yang, Daniel Multer, Yin Jia-Xin, Horst Borrmann, Alla Chikina, Jonas A. Krieger, Jaime Sanchez-Barriga, Patrick Le Fevre, Francois Bertran, Vladimir N. Strocov, Jonathan D. Denlinger, Chang Tay-Rong, Jia Shuang, Claudia Felser, Hsin Lin, Chang Guoqing, M. Zahid Hasan
Summary: In this Letter, the authors discovered the higher-fold topology of a chiral crystal using a combination of fine-tuned chemical engineering and photoemission spectroscopy. They identified all bulk branches of a higher-fold chiral fermion and revealed a multigap bulk boundary correspondence. This demonstration of multigap electronic topology will drive future research on unconventional topological responses.
PHYSICAL REVIEW LETTERS
(2023)
Article
Multidisciplinary Sciences
Chunyu Guo, A. Alexandradinata, Carsten Putzke, Amelia Estry, Teng Tu, Nitesh Kumar, Feng-Ren Fan, Shengnan Zhang, Quansheng Wu, Oleg V. Yazyev, Kent R. Shirer, Maja D. Bachmann, Hailin Peng, Eric D. Bauer, Filip Ronning, Yan Sun, Chandra Shekhar, Claudia Felser, Philip J. W. Moll
NATURE COMMUNICATIONS
(2023)
Correction
Multidisciplinary Sciences
Yudi Zhang, Kathryn E. Arpino, Qun Yang, Naoki Kikugawa, Dmitry A. Sokolov, Clifford W. Hicks, Jian Liu, Claudia Felser, Guowei Li
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Subhajit Roychowdhury, Mengyu Yao, Kartik Samanta, Seokjin Bae, Dong Chen, Sailong Ju, Arjun Raghavan, Nitesh Kumar, Procopios Constantinou, Satya N. Guin, Nicholas Clark Plumb, Marisa Romanelli, Horst Borrmann, Maia G. Vergniory, Vladimir N. Strocov, Vidya Madhavan, Chandra Shekhar, Claudia Felser
Summary: In this study, the electronic structure of ferromagnetic EuCd2As2, predicted to be an ideal Weyl semimetal, is investigated using angle-resolved photoemission spectroscopy and scanning tunneling microscopy. The experimental results are in close agreement with the first principles calculations. Furthermore, anomalous Hall conductivity and Nernst effect are observed, resulting from the non-zero Berry curvature and the topological Hall effect arising from changes in the band structure caused by spin canting produced by magnetic fields. These findings provide insights into exotic quantum phenomena in inorganic topological materials with multiple pairs of Weyl nodes.
Article
Materials Science, Multidisciplinary
Thorsten Schultz, Peer Baermann, Elena Longhi, Rahul Meena, Yves Geerts, Yury Gogotsi, Stephen Barlow, Seth R. Marder, Tristan Petit, Norbert Koch
Summary: Two-dimensional MXenes, especially Ti(3)C(2)Tx, have promising properties for various applications. The work function of MXenes is crucial for energy level alignment, and methods to control the work function should be developed.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Johannes Mueller, Max Heyl, Thorsten Schultz, Kristiane Elsner, Marcel Schloz, Steffen Ruehl, Helene Seiler, Norbert Koch, Emil J. W. List-Kratochvil, Christoph T. Koch
Summary: 4D scanning transmission electron microscopy (4D-STEM) is a powerful technique that can characterize electron-transparent samples with high spatial resolution. By rastering an electron beam over a sample area and acquiring transmission diffraction patterns, 4D-STEM can provide detailed information about the atomic structure, crystallinity, orientation, and other properties of the sample. It can be used in scanning electron microscopes (SEMs) to study 2D materials and vdWH, with their inherently thin thickness. A unique 4D-STEM-in-SEM system is applied to reveal the single crystallinity of MoS2 exfoliated with gold-mediation and determine the crystal orientation and coverage of both components in a C60/MoS2 vdWH.
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE
(2023)
Article
Physics, Multidisciplinary
David R. Saykin, Camron Farhang, Erik D. Kountz, Dong Chen, Brenden R. Ortiz, Chandra Shekhar, Claudia Felser, Stephen D. Wilson, Ronny Thomale, Jing Xia, Aharon Kapitulnik
Summary: This study reports high-resolution polar Kerr effect measurements on CsV3Sb5 single crystals to search for evidence of spontaneous time-reversal symmetry breaking below the charge-order transition. Utilizing two different versions of zero-area loop Sagnac interferometers operating at 1550 nm wavelength, the researchers found no observable Kerr effect within the noise floor limit. Simultaneous coherent reflection ratio measurements confirmed the sharpness of the charge-order transition, suggesting that time-reversal symmetry is unlikely to be broken in the charge ordered state in CsV3Sb5.
PHYSICAL REVIEW LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Sarah Gruetzmacher, Max Heyl, Marco Vittorio Nardi, Norbert Koch, Emil J. W. List-Kratochvil, Giovanni Ligorio
Summary: 2D transition metal dichalcogenides (TMDCs) are semiconductors with potential for optoelectronic applications, and their properties can be altered by chemically engineering the substrate surface. This study demonstrates local doping and adjustment of the electronic and optical properties of TMDCs (WSe2 and MoS2) by decorating the substrate with self-assembled monolayers (SAMs) with different molecular dipoles and dielectric constants. The interaction between SAMs and TMDCs leads to changes in the electronic band gap width, which can be predicted using the Schottky-Mott rule and knowledge of the dielectric screening effects. Understanding these effects allows for accurate prediction of TMDCs behavior for device design.
ADVANCED MATERIALS INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Fengshuo Zu, Dongguen Shin, Emilio Gutierrez-Partida, Martin Stolterfoht, Patrick Amsalem, Norbert Koch
Summary: The electronic properties of metal halide perovskites (MHPs) are crucial for optimal optoelectronic devices, but photoelectron spectroscopy (PES) measurements can be complex due to charge selective junctions and high-energy photons causing energy level realignment. Bremsstrahlung from twin-anode lab-sources can induce sizable shifts in core levels, whereas monochromatized X-ray lab-sources have minimal effects. These findings aim to enhance the reliability of PES measurements for obtaining accurate MHP electronic property information.
ADVANCED MATERIALS INTERFACES
(2023)
Article
Materials Science, Multidisciplinary
Irian Sanchez-Ramirez, Maia G. Vergniory, Claudia Felser, Fernando de Juan
Summary: Among the quasi-one-dimensional transition metal tetrachalcogenides (MSe4)nI (M = Nb,Ta), the n = 3 compounds exhibit structural transitions with puzzling transport behavior instead of charge density waves. Recent discovery of a metallic polytype of (TaSe4)3I with coexisting ferromagnetism and superconductivity at low temperature challenges previous reports. In this study, ab initio and tight-binding band-structure calculations are used to explain the observed transport gaps and clarify the controversy regarding ARPES and optical conductivity experiments. The effect of small extrinsic hole doping and its implications for magnetism and superconductivity are also discussed.
Article
Materials Science, Multidisciplinary
Lun-Hui Hu, Chunyu Guo, Yan Sun, Claudia Felser, Luis Elcoro, Philip J. W. Moll, Chao-Xing Liu, Andrei Bernevig
Summary: In this study, a hierarchical structure of quasisymmetries and their corresponding nodal structures in the chiral crystal material CoSi are revealed through two different approaches of perturbation expansions. Quasisymmetries are found to play a crucial role in the physical responses of the system and can protect the existence of nodal planes.
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)
