Review
Chemistry, Multidisciplinary
Yanan Wang, Thomas Burgi
Summary: Ligand exchange reaction is a versatile post-synthesis modification method that plays an important role in thiolate-protected gold nanoclusters by adjusting the gold-sulfur interface. This process follows a SN2-like mechanism, supported by both experiments and calculations. Ligand exchange reaction can impart different functionalities and properties to gold nanoclusters.
NANOSCALE ADVANCES
(2021)
Article
Multidisciplinary Sciences
Chun-Yu Liu, Shang-Fu Yuan, Song Wang, Zong-Jie Guan, De-en Jiang, Quan-Ming Wang
Summary: This study uncovers the role of the amidinate ligand in yielding two closely related copper hydride clusters with different catalytic hydrogenation activities. The researchers synthetized stable copper hydride clusters using ligand engineering strategy and observed reversible interconversion between the clusters triggered by solvent. Deuteration experiments demonstrated that the type of hydride in the clusters dictates the catalytic activity.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Xiaoshuang Ma, Lin Xiong, Lubing Qin, Yun Tang, Guanyu Ma, Yong Pei, Zhenghua Tang
Summary: In this study, the first homoleptic alkynyl-protected AgCu superatomic nanocluster was reported, along with a similar structure bimetallic nanocluster. Despite the similar Ag-8 cube structure, subtle differences exist between the two clusters, resulting in significantly different optical absorbance features.
Article
Chemistry, Inorganic & Nuclear
Yan-Li Gao, Xueli Sun, Xiongkai Tang, Zhenlang Xie, Guolong Tian, Zi-Ang Nan, Huayan Yang, Hui Shen
Summary: A novel alkynyl-stabilized silver-copper alloy nanocluster was synthesized and it was found that the structure of the alkynyl ligands played an important role in dictating the structure of the nanocluster. This nanocluster showed high performance in the catalytic hydrogenation of 4-nitrophenol.
DALTON TRANSACTIONS
(2022)
Article
Materials Science, Biomaterials
Yuan Wang, Yue Hua, Zi-Hui Shao, Xiaoyuan Chen, Xueli Zhao, Shuang-Quan Zang
Summary: This study demonstrates that structurally defined gold nanoclusters exhibit strong antibacterial activity by causing significant damage to the bacterial wall and membrane, as well as inhibiting enzyme activity in bacteria. The imbalance of the intracellular antioxidant defence system leads to the leakage of intracellular components and eventually kills bacteria.
JOURNAL OF MATERIALS CHEMISTRY B
(2022)
Article
Chemistry, Multidisciplinary
Justin B. Patty, Shana Havenridge, Dylan Tietje-Mckinney, Maxime A. Siegler, Kundan K. Singh, Roumina Hajy Hosseini, Mohamed Ghabin, Christine M. Aikens, Anindita Das
Summary: The article reports the first example of a chiral mixed thiolate/stibine-protected gold cluster, with the chirality originating from a unique arrangement on an achiral Au-13 core. The structure and properties of this new Au-18 cluster are found to be different from other reported achiral Au-18 clusters and the only other stibine-protected [Au-13(SbPh3)(8)Cl-4](+) cluster, highlighting the importance of detailed analysis on its geometric and electronic structures for understanding its optical properties, reactivity, and stability.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Review
Chemistry, Multidisciplinary
Xiaoshuang Ma, Yun Tang, Guanyu Ma, Lubing Qin, Zhenghua Tang
Summary: Homoleptic alkynyl-protected Au nanoclusters have attracted significant research interest due to their unique properties and applications in catalysis and optics. This review discusses various synthetic strategies and formation mechanisms, providing insight into the future development of this rapidly evolving field.
Article
Chemistry, Multidisciplinary
Julia McKay, Michael J. Cowan, Cristian A. Morales-Rivera, Giannis Mpourmpakis
Summary: Thiolate-protected metal nanoclusters (TPNCs) have garnered significant interest for their stability, precise structure, and physicochemical properties. Through computational studies, strong correlation between metal-sulfur and sulfur-ligand bond dissociation energies has been identified, providing a pathway for predicting TPNC ligand removal energetics. Computational results also shed light on the kinetic favorability of breaking S-R over M-S bonds in certain complexes, aiding in the targeted design of TPNC catalysts.
Article
Chemistry, Physical
Qi Dai, ZhiXiong Zhang, Biao Yu, Xinyu Li, Jingqiu Li, Zichun Qi, Hua He, Fang Huang, Xiaojuan Wang
Summary: During the last decade, a variety of ligand protected gold nanoclusters (AuNCs) have been synthesized and their applications have been reported. The mechanism of the significant Stokes shift and the role of surface ligands have been investigated. In this study, fluorescent AuNCs with a large Stokes shift were prepared using tri-peptides as protecting ligands and their spectroscopic properties were examined. The results showed that the ligands play a critical role in mediating the energy transfer process and the Stokes shift. This study provides a new explanation for the large Stokes shift in AuNCs and a strategy for developing materials with large Stokes shift.
Editorial Material
Multidisciplinary Sciences
Sami Malola, Hannu Hakkinen
Summary: This passage discusses how precise knowledge of the chemical composition and atomic structure of nanosized systems can be used for detailed computational work to understand structure-property relations in metal clusters. It also mentions the challenges of developing effective simulation methods to account for cluster-environment interactions, potentially using components of electronic structure theory combined with machine learning algorithms.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Inorganic & Nuclear
Arijit Jana, Parvathy M. Unnikrishnan, Ajay K. Poonia, Jayoti Roy, Madhuri Jash, Ganesan Paramasivam, Jan Machacek, Kumaran Nair Valsala Devi Adarsh, Tomas Base, Thalappil Pradeep
Summary: We report the synthesis, structural characterization, and photophysical properties of a propeller-shaped Ag21 nanomolecule with six rotary arms, which exhibits high thermal stability and light-activated structural distortion. The structure and photophysical properties of the nanomolecule are confirmed by various characterization methods.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Ricca Rahman Nasaruddin, Max J. Hulsey, Jianping Xie
Summary: The bimetallic AuAg NCs with silver doping showed enhanced catalytic activity, better stability, and provided a wider opportunity to tailor the catalytic properties of atomically precise Au-based 25-metal atom NCs by engineering their metal composition.
MOLECULAR CATALYSIS
(2022)
Review
Chemistry, Multidisciplinary
Qiaofeng Yao, Zhennan Wu, Zhihe Liu, Yingzheng Lin, Xun Yuan, Jianping Xie
Summary: "Thiolate-protected noble metal nanoclusters exhibit molecule-like properties, behaving as molecular entities and displaying structurally sensitive molecular reactivity to ions, molecules, and other nanoclusters. Their molecular interactions and reactions are crucial for applications in various fields, yet there is a lack of systematic summary in the current literature. Advances in synthesis and characterization techniques allow for the production of noble metal nanoclusters with molecular purity and precise atomic resolution, revealing active sites for molecular interactions and reactions. Understanding and utilizing these interactions and reactions in synthesis, self-assembly, and applications can increase the acceptance of metal nanoclusters in various fields."
Article
Chemistry, Physical
Angus I. Sullivan, Joseph F. DeJesus, Sami Malola, Shinjiro Takano, Tatsuya Tsukuda, Hannu Haekkinen, Cathleen M. Crudden
Summary: Atomically precise gold nanoclusters protected with N-heterocyclic carbenes (NHCs) using potassium intercalated graphite (KC8) as a reducing agent were successfully synthesized and characterized. The resulting Au11 nanocluster, [Au11(NHC)8Br2]Br, showed improved stability and optical properties. This work expands the synthetic toolbox for gold nanoclusters and contributes to the understanding of their structures.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Physical
Wenhua Han, Endong Wang, Wen Wu Xu
Summary: This study provides comprehensive insights into the stability of crystallized Au-22(SAdm)(16) nanocluster and reveals the underlying mechanism for the spontaneous transformation to Au-21(SAdm)(15). It also successfully predicts two new isomers of Au-22(SCH3)(16) with lower energies and distinct optical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Liang Song, Yun Cai, Yang Liu, Xueru Zhao, Kurian A. Kuttiyiel, Nebojsa Marinkovic, Anatoly I. Frenkel, Anusorn Kongkanand, YongMan Choi, Radoslav R. Adzic, Kotaro Sasaki
Summary: A facile one-step synthesis method was developed to prepare PtNiN/C catalyst with high ORR performance and stability. Superior performance was demonstrated in electrochemical testing and fuel cell experiments, supported by in situ X-ray absorption spectroscopy confirming the formation of Pt monolayer shells on nitrided cores.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Physics, Applied
Rubab Ume, Haibo Gong, Vadim Tokranov, Michael Yakimov, Kevin Brew, Guy Cohen, Christian Lavoie, Sandra Schujman, Jing Liu, Anatoly I. Frenkel, Karsten Beckmann, Nathaniel Cady, Serge Oktyabrsky
Summary: This study investigates the material properties of Ga-Sb binary alloy thin films deposited under ultra-high vacuum conditions for analog phase change memory (PCM) applications. The research reveals that crystallization of this alloy occurs in a specific temperature range, with phase separation observed upon crystallization. The local structure analysis shows a decrease in bond length during the amorphous-to-crystalline phase transformation.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Lior Asor, Jing Liu, Shuting Xiang, Nir Tessler, Anatoly I. Frenkel, Uri Banin
Summary: Doped heavy metal-free III-V semiconductor nanocrystal quantum dots (QDs) have attracted great interest for both their fundamental doping characteristics and their applicability in p-n homojunction devices. In this study, p-type doping of InAs NCs was achieved through the use of Zn, allowing for control over the charge carrier type in InAs QDs field effect transistors. X-ray absorption spectroscopy analysis confirmed substitutional doping by Zn2+ replacing In3+. Surface passivation by Zn was also observed, leading to enhanced near infrared photoluminescence. This research paves the way for the fabrication of optoelectronic devices active in the short-wave infrared region using heavy-metal free nanocrystal building blocks.
ADVANCED MATERIALS
(2023)
Article
Environmental Sciences
Zahra Maleki Shahraki, Mian Wang, Yue Zhao, Alexander Orlov, Xinwei Mao
Summary: The performance of biochar-amended sand filters in treating septic tank effluent (STE) was studied. Softwood biochar demonstrated higher adsorption capacity for NH4+-N and greater water holding capacity compared to sand. Addition of biochar improved total nitrogen removal efficiency and nitrification performance, especially when alkalinity was insufficient. Biochar amendment also increased biomass growth and had little impact on nitrification performance during fluctuation in STE composition.
JOURNAL OF ENVIRONMENTAL QUALITY
(2023)
Article
Chemistry, Physical
Alexandre C. Foucher, Daniel J. Rosen, Shengsong Yang, Dario Ferreira Sanchez, Ilia Sadykov, Daniel Grolimund, Anatoly I. Frenkel, Christopher B. Murray, Eric A. Stach
Summary: This article presents the characterization and applications of core-shell Cu-Ir nanocatalysts in oxygen reduction reaction and oxygen evolution reaction. By controlling the thickness of the Ir shell, the Cu core can be removed via oxidation to obtain Ir shells, which determine the stability and optimization of the precious metals. Through in situ scanning transmission electron microscopy, the remarkable stability of the Ir shells at high temperatures under oxidative and reductive environments is demonstrated. Electrochemical measurements show that the Cu-Ir nanocatalysts exhibit promising activity and stability compared to a commercial catalyst. Thin Ir shells result in higher surface area per gram of Ir and higher activity, while thicker Ir shells are more stable and exhibit excellent electrochemical properties in aqueous and alkaline environments. Consequently, Ir nanoshells are considered interesting candidates for reducing the cost of catalysis and improving chemical performance in fuel cells.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Physical
Junying Li, Peipei Huang, Facheng Guo, Jiahao Huang, Shuting Xiang, Ke Yang, N. Aaron Deskins, Victor S. Batista, Gonghu Li, Anatoly I. Frenkel
Summary: In this study, the structure of a hybrid photocatalyst consisting of a macrocyclic cobalt complex deposited on graphitic carbon nitride (C3N4) was investigated using XANES, EXAFS spectroscopies, DFT, and computational XANES modeling. The results revealed that the cobalt complex binds to C3N4 through surface OH or NH2 groups. By refining the local geometry and binding sites, this research provides an important benchmark for modeling a large class of molecular catalysts and enables further improvement through chemometrics-based approaches and machine learning methods of XANES data analysis.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Alexandre C. Foucher, Shengsong Yang, Daniel J. Rosen, Renjing Huang, Jun Beom Pyo, Ohhun Kwon, Cameron J. Owen, Dario Ferreira Sanchez, Ilia I. Sadykov, Daniel Grolimund, Boris Kozinsky, Anatoly I. Frenkel, Raymond J. Gorte, Christopher B. Murray, Eric A. Stach
Summary: We developed a method to synthesize highly mono-disperse Cu-Pt alloy nanoparticles. These nanoparticles exhibited stability under redox conditions and displayed promising activity and stability for CO oxidation. The incorporation of Pt with Cu did not lead to rapid deactivation and degradation of the material as seen with other bimetallic systems. This work provides a synthesis route to control the design of Cu-Pt nanostructures and highlights the potential of these alloys for heterogeneous catalysis.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Instruments & Instrumentation
Junying Li, Prahlad K. Routh, Yuanyuan Li, Anna Plonka, Evgeniy Makagon, Igor Lubomirsky, Anatoly Frenkel
Summary: Electro-chemo-mechanical (ECM) coupling refers to mechanical deformation due to electrochemically driven compositional change in a solid. Recently, a stable ECM actuator producing small displacements at room temperature was reported. The investigation of the Ti and Ce ions in Ti-GDC nanocomposites showed that Ti atoms form a cerium titanate or segregate into a TiO2 anatase-like phase depending on the Ti concentration. The transition region with Ti(IV) concentration between 19% and 57% is proposed to be the most advantageous for developing ECM-active materials.
JOURNAL OF SYNCHROTRON RADIATION
(2023)
Article
Nanoscience & Nanotechnology
J. L. Hart, A. C. Lang, Y. Li, S. Shahrezaei, D. D. Alix-Williams, M. L. Falk, S. N. Mathaudhu, A. I. Frenkel, M. L. Taheri
Summary: Short range order (SRO) is crucial for determining the performance of engineering materials, but accurate characterization with high spatial resolution is often experimentally inaccessible. In this study, SRO is locally quantified using scanning transmission electron microscopy with extended energy loss fine structure analysis. A novel instrumentation enables electron energy loss spectroscopy at energies conventionally achievable only with a synchrotron. This technique allows for quantitative analysis of local coordination environments and has been successfully applied to investigate a multicomponent metallic glass nanolaminate.
MATERIALS TODAY NANO
(2023)
Article
Chemistry, Multidisciplinary
Nathaniel Hurley, Michael Gallagher, Christopher Koenigsmann, Elena Stephanie, Monireh Davoudi, Anna M. Plonka, Haodong Wang, Lihua Zhang, Anatoly I. Frenkel, Stanislaus S. Wong
Summary: In this study, ultrathin nanowires of pure Pt, Pt99Ni1, Pt9Ni1, and Pt7Ni3 were successfully synthesized using a modified room-temperature soft-template method. It was found that the Pt7Ni3 samples exhibited the best performance in both methanol and ethanol oxidation reactions, while pre-treating Pt9Ni1 and Pt7Ni3 under a reducing atmosphere significantly improved the CO2 formation. The analysis of the extended x-ray adsorption fine structure (EXAFS) spectroscopy data indicated the presence of partial alloying and segregation of Pt and Ni within the nanowires.
Article
Chemistry, Multidisciplinary
Haodong Wang, Ryuichi Shimogawa, Lihua Zhang, Lu Ma, Steven N. Ehrlich, Nebojsa Marinkovic, Yuanyuan Li, Anatoly I. Frenkel
Summary: Single-atom catalysts are sensitive to external conditions, and tracking their structural evolution can identify active species and active sites. The migration of platinum nanoparticles affects catalytic activity.
COMMUNICATIONS CHEMISTRY
(2023)
Article
Chemistry, Physical
Scott C. McGuire, Nathaniel R. Hurley, Michael G. Gallagher, Lihua Zhang, Anatoly I. Frenkel, Stanislaus S. Wong
Summary: In the development of novel fuel cell catalysts, we have synthesized ultrathin nanowires and spoke-like dendritic clusters. Analysis shows that the elements tend to segregate into clusters, and the specific activity values of the samples in methanol oxidation reaction correlate with their chemical composition and reaction process.
Article
Multidisciplinary Sciences
Maxim Varenik, Boyuan Xu, Junying Li, Elad Gaver, Ellen Wachtel, David Ehre, Prahlad K. Routh, Sergey Khodorov, Anatoly I. Frenkel, Yue Qi, Igor Lubomirsky
Summary: In this study, a low relative permittivity ceramic material ZrxCe1-xO2 with electromechanical properties comparable to the best performing electrostrictors was discovered. The electromechanical properties of ZrxCe1-xO2 are enabled by elastic dipoles formed under an applied anisotropic electric field, which distinguishes it from other materials.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Yuanyuan Li, Haodong Wang, Haohong Song, Ning Rui, Matthew Kottwitz, Sanjaya D. Senanayake, Ralph G. Nuzzo, Zili Wu, De-en Jiang, Anatoly I. Frenkel
Summary: This study successfully improved the activity of CO oxidation by designing Pt single atom catalysts supported on Gd-doped ceria. The results showed that a new Pt single atom site formed under CO pretreatment at elevated temperatures can significantly reduce the energy barrier of CO oxidation. The reactivity and reaction mechanism of the catalyst can be tuned by changing the local electronic and atomic structure of the Pt single atom through Gd doping.
Article
Materials Science, Multidisciplinary
Ingrid J. Paredes, Amani M. Ebrahim, Rito Yanagi, Anna M. Plonka, Shuzhen Chen, Hanlu Xia, Scott Lee, Mersal Khwaja, Haripriya Kannan, Ajay Singh, Sooyeon Hwang, Anatoly I. Frenkel, Ayaskanta Sahu
Summary: The chemical versatility and rich phase behavior of tin phosphides have attracted researchers' interest for various applications. However, there are few viable methods to obtain high-quality and phase-controlled tin phosphides. In this study, we demonstrated that inexpensive and commercially available aminophosphines can be used to synthesize different phases of tin phosphides. We manipulated various factors to obtain phase-pure Sn3P4, SnP, and Sn4P3 nanocrystals. The phase purity was confirmed by X-ray diffraction and transmission electron microscopy.
MATERIALS ADVANCES
(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)
