Article
Chemistry, Physical
Dillon T. Hofsommer, Manu Gautam, Sandesh S. Uttarwar, Craig A. Grapperhaus, Joshua M. Spurgeon
Summary: Electrochemical CO2 reduction in methanol shows promise for reducing greenhouse gas emissions and producing value-added products. Critical factors for achieving high selectivity for methyl formate production on a Pb cathode in methanol include high pH near the electrode, low bulk pH, low water content, and regeneration of Pb2+ sites. The use of co-electrolysis with dilute molecular oxygen (4% O-2) can repair the Pb catalyst through in situ surface oxidation. Sustained high selectivity for methyl formate can be achieved with the use of CO2, dilute O2, and single-pass catholyte flow for over 72 hours.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Xiangdong Kong, Jiankang Zhao, Zifan Xu, Zhengya Wang, Yingying Wu, Yaohui Shi, Hongliang Li, Chuanxu Ma, Jie Zeng, Zhigang Geng
Summary: The structure of heterogeneous catalysts at the interface directly affects the reaction rate by controlling the adsorption behavior of reaction intermediates. In this study, a triazole-modified silver crystal (Ag crystal-triazole) with dynamic and reversible interface structures was developed to enhance the catalytic activity in the electroreduction of CO2 to CO. Through surface science measurements and theoretical calculations, the researchers demonstrated the dynamic transformation between adsorbed triazole and adsorbed triazolyl on the Ag(111) facet induced by metal-ligand conjugation. The dynamic metal-ligand coordination not only reduced the activation barriers but also altered the rate-determining step, leading to highly efficient CO2 electroreduction.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Review
Chemistry, Physical
Longfu Wei, Rongxing Li, Qizhe Fan, Changlin Yu, Peng Tan
Summary: This review discusses the design and fabrication of silicon nanowire (SiNW) based photoelectrodes for the efficient photoelectrocatalytic reduction of CO2 to fuels and chemicals. The different reaction modes and preparation methods of SiNWs are presented and analyzed. The review summarizes and analyzes the photoelectrocatalytic activity of SiNWs with different cocatalysts and the combination of photoanode and photocathode. Future prospects are also discussed.
SUSTAINABLE ENERGY & FUELS
(2022)
Article
Chemistry, Multidisciplinary
Wen-Jun Xie, Jin-Mei Chen, Zhi-Wen Yang, Liang-Nian He
Summary: A novel molecular catalyst, cobalt 5,15-diazaporphyrin, was developed and immobilized onto carbon nanotubes for highly efficient electrocatalytic CO2 reduction to CO. The catalyst exhibited a faradaic efficiency above 99% at -0.7 V and -0.8 V versus a reversible hydrogen electrode. The decrease in electronegative nitrogen atoms at the meso position effectively increased the electron density of the central metal, facilitating the reaction with Lewis acid CO2.
Article
Chemistry, Multidisciplinary
Abu Saad Ansari, Jeong Woo Han, Bonggeun Shong
Summary: This study investigated the adsorption phenomena of p-block metals surfaces in the electrocatalytic reduction of CO2 using DFT-D calculations. It was found that p-block metals display low chemical reactivity towards CO2, and adsorption of (OCHO)·O with O-metal bonds is more stable than (COOH)·C with C-metal bonds, leading to selective formation of HCOOH over CO.
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
(2021)
Article
Chemistry, Physical
Harsh A. Chaliyawala, Steiphane Bastide, Diane Muller-Bouvet, Christophe Pichon, Kadiatou Bah, Anffane Djoumoi, Freideiric Marty, Tarik Bourouina, Encarnacioin Torralba
Summary: In this study, one-step synthesis of AgxCu100-x bimetallic nanoparticles (NPs) on p-type silicon (p-Si) supports is reported, and their application as photocathodes for the photoelectrochemical CO2 reduction reaction (PEC-CO2RR) is explored. The proposed method allows for the homogeneous distribution of NPs on the Si surface, with excellent control of their bimetallic composition, surface coverage, and morphology. The Ag50Cu50/p-Si photocathode shows better performance than Ag/p-Si and Cu/p-Si, achieving CO2 conversion to CO and CH4 with high Faradaic efficiency at lower overpotentials.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Spectroscopy
Guangda Xu, Ye Sun, Yao Zhang, Lixin Xia
Summary: The study investigates the mechanism of SO32- ions promoting the conversion of PNTP to DMAB on gold nanoparticles, demonstrating high selectivity and providing a new detection method for SO32- ions in the future.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Physical
Shenzhen Xu, Emily A. Carter
Summary: Research has shown that CO2 photoelectroreduction on GaP electrodes can efficiently produce methanol through the hydride transfer (HT) mechanism. However, HT may induce hydrogen evolution as a side reaction, leading to reduced selectivity.
Article
Chemistry, Multidisciplinary
Miyeon Chang, Wenhao Ren, Weiyan Ni, Seunghwa Lee, Xile Hu
Summary: In this study, the effects of three different ionomers (Nafion, Sustainion-type XA-9, and poly(terphenyl piperidinium) (PTP)) on the electrochemical reduction of CO2 using Cu-based electrocatalysts were investigated. It was found that Nafion had little influence on the performance, XA-9 promoted CO formation, and PTP favored hydrogen and formate production. The observed effects were attributed to charge transfer and hydrophilicity/hydrophobicity of the ionomers. This study highlights the structure-sensitive nature of the ionomer-catalyst interaction in CO2RR.
Article
Chemistry, Multidisciplinary
Shiqun Xiang, Weibin Fan, Wei Zhang, Yinghua Li, Shiwei Guo, Deguang Huang
Summary: A simple and green method for the synthesis of fused pyridines was developed using the [2 + 2 + 1 + 1] cycloaddition of ketones with an ammonium cation under a CO2 atmosphere. Monoethanolamine (MEA) was used as an additive to increase the solubility of CO2 in an aqueous solution. The products, exhibiting photosensitivity, show potential applications as organic optoelectronic materials, with a proposed reaction mechanism based on experimental studies.
Article
Materials Science, Multidisciplinary
Qiang He, Jianing Wang, Teck Lip Dexter Tam, Xiaopeng Zhang, Zhuonan Jiang, Sheau Wei Chien, Nguk Neng Tham, Xue Qi Koh, Peng Xian Soh, Hong Meng, Wei Huang, Jianwei Xu
Summary: Organic thermoelectric materials have attracted attention due to their flexibility, low cost, and large-scale production. In this study, two ladder-type conjugated polymers with different pendant groups were synthesized and solution-processed for thin-film thermoelectric applications. The results demonstrate that the pendant groups have a significant influence on the electrical conductivity and thermoelectric performance of the polymers.
ACS MATERIALS LETTERS
(2023)
Article
Chemistry, Inorganic & Nuclear
M. Cecilia Johnson, Dylan Rogers, Werner Kaminsky, Brandi M. Cossairt
Summary: The research demonstrates that the activity of the hydrogenation of CO2 to formate catalyzed by Ru(II) bis(protic N-heterocyclic carbene, p-NHC) phosphine complex is mainly limited by the presence of K3PO4. In addition, stoichiometric studies help to determine the reaction mechanism and understand the importance of metal-ligand cooperativity.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Libing Zhang, Jiaqi Feng, Limin Wu, Xiaodong Ma, Xinning Song, Shunhan Jia, Xingxing Tan, Xiangyuan Jin, Qinggong Zhu, Xinchen Kang, Jun Ma, Qingli Qian, Lirong Zheng, Xiaofu Sun, Buxing Han
Summary: Regulating the adsorption of oxygen-associated active species on copper by introducing an oxophilic metal can improve the selectivity of C2+ alcohols. Experimental results showed that the Al-doped Cu catalyst exhibited outstanding stability and high selectivity towards ethanol.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Shiyao Cao, Yurui Xue, Xi Chen, Chao Zhang, Yang Gao, Yuliang Li
Summary: A new heterostructured electrocatalyst of graphdiyne/copper sulfide (GDY/CuSx) was reported via the controlled in situ growth of GDY on the surface of CuSx. The introduction of GDY effectively induced the formation of mixed-valence Cu(i, ii) and incomplete charge transfer, which enhanced the conductivity and produced new active sites, resulting in a higher catalytic performance. In addition, GDY/CuSx exhibited high long-term stability and showed a high CO2-to-formate conversion performance with high faradaic efficiency at room temperatures and ambient pressures.
MATERIALS CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Physical
Zhaojun Min, Bing Chang, Chunfeng Shao, Xiaofang Su, Nan Wang, Zhiyong Li, Huiyong Wang, Yang Zhao, Maohong Fan, Jianji Wang
Summary: A highly efficient catalytic system for CO2RR to produce syngas is reported using a Ni-foam-supported nano-Ag catalyst in an ionic liquid (IL)-acetonitrile electrolyte. The CO/H2 molar ratio in the syngas can be tuned from 1:5 to 26:1, with high current densities of 363.6, 458.2, and 644.7 mA cm-2 at CO/H2 molar ratios of 1:1, 1:2, and 1:3, respectively. The high efficiency is attributed to the synergistic stabilization action of nano-Ag and IL cationic C4/5-H for intermediate *COO- to produce CO, as well as cationic C2-H contribution to hydrogen evolution. This work opens a new way to improve the catalytic performance of CO2RR to produce syngas.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2023)
Article
Chemistry, Physical
Antonia E. Papasergio, Greta Ugolotti, Enrico Sassoni, Martina Lessio
Summary: Surface treatments involving the in situ formation of a passivating calcium phosphate layer have been developed to improve the acid-resistance of marble. The addition of alcohol to the treatment improves the coverage of the calcium phosphate layer, but the reason behind this improvement is still unclear. Computational and experimental studies suggest that the interaction of organic additives with the marble surface does not play a major role in determining the treatment outcomes, indicating the need for further investigation of other factors for the design of improved treatments.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Physical
Claudia S. Cox, Eve Slavich, Lauren K. Macreadie, Laura K. McKemmish, Martina Lessio
Summary: UiO-66 is a highly studied metal-organic framework with exceptional stability and potential applications. Defective UiO-66, formed by missing linkers or clusters, enhances catalytic and adsorptive performance. This review provides a comprehensive overview of the literature and a meta-analysis to understand the synthesis parameters and structural outcomes. The analysis identifies relationships between parameters and provides recommendations for future experimental work.
CHEMISTRY OF MATERIALS
(2023)
Editorial Material
Chemistry, Physical
Emily A. Carter, Mark A. Johnson, Stephen R. Leone
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Biographical-Item
Chemistry, Physical
Emily A. Carter, Mark A. Johnson, Stephen R. Leone
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Physical
Lesheng Li, Marcos Calegari F. Andrade, Roberto Car, Annabella Selloni, Emily A. Carter
Summary: In this study, the influence of different TiS2 surface terminations on its interface with water was revealed through deep potential molecular dynamics simulations. Zigzag-L was identified as the only interface that favors water dissociation thermodynamically and kinetically, with the coexistence of four-fold-coordinated Ti and one-fold-coordinated S atoms on the surface playing a crucial role in proton transfer. This work provides new insights for the future design and optimization of TiS2-based CDI devices for water desalination.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Biographical-Item
Chemistry, Physical
Emily A. Carter, Mark A. Johnson, Stephen R. Leone
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Jin Cai, Qing Zhao, Wei-You Hsu, Chungseok Choi, Yang Liu, John Mark P. Martirez, Chih Chen, Jin Huang, Emily A. Carter, Yu Huang
Summary: A highly (111)-oriented Cu foil electrocatalyst with dense twin boundaries (tw-Cu) is demonstrated to exhibit high selectivity towards CH4 in the electrochemical carbon dioxide reduction reaction. The tw-Cu catalyst achieves a high Faradaic efficiency of 86.1 +/- 5.3% for CH4 production. Theoretical studies suggest that tw-Cu reduces the reduction barrier for the rate-determining hydrogenation of CO compared to planar Cu(111), leading to the observed high CH4 selectivity.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
John Mark P. Martirez, Emily A. Carter
Summary: Simulations of carbon dioxide in water can help understand its impact on aquatic environments and advance carbon capture and utilization technologies. Only by using quantum mechanical simulations and rare-event sampling, combined with energy corrections, can the theoretical results closely match experimental data. These multilevel simulations can serve as benchmarks for simpler models and provide insights into their potential errors.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Multidisciplinary Sciences
Pengcheng Chen, Dingxin Fan, Annabella Selloni, Emily A. Carter, Craig B. Arnold, Yunlong Zhang, Adam S. Gross, James R. Chelikowsky, Nan Yao
Summary: By using high-resolution noncontact atomic force microscopy, the authors successfully identified two adjacent transition-metal atoms (Fe and Co) within phthalocyanine molecules. The AFM imaging showed that the Co atom was brighter and had four distinct lobes on the horizontal plane, while the Fe atom had a square morphology. Pico-force spectroscopy measurements revealed a larger repulsion force exerted by Co compared to Fe. The experimental and theoretical results demonstrated that the distinguishable features in AFM images and the variation in measured forces were due to Co's higher electron orbital occupation above the molecular plane. The ability to directly observe orbital signatures using HR-AFM provides a promising approach for characterizing the electronic structure of individual atoms in molecular species and understanding mechanisms of certain chemical reactions.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Jan-Niklas Boyn, Emily A. Carter
Summary: The dehydration dynamics of aqueous Ca2+ and Mg2+ cations are important in chemical and biological phenomena and have particular relevance in carbon capture techniques. This study investigates the dehydration process of these cations using rare event sampling and provides insights into the effect of pH on their stability.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Matthew Teusner, Uttam Mittal, Martina Lessio, Bernt Johannessen, Jitendra Mata, Neeraj Sharma
Summary: We report the use of copper tartrate, an inexpensive and off-the-shelf metal-carboxylate, as a high-capacity anode material for lithium-ion batteries, achieving a specific capacity of 744 mA h g(-1) when cycled at 50 mA g(-1). Advanced techniques, including XAS, XRD, SANS, and USANS, were used to investigate the structure-performance relationship of the electrode and uncover an unusual capacity gain with cycling.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Jierui Zhang, Francesco Paesani, Martina Lessio
Summary: Studies have shown that incorporating hydrophilic functional groups into the UiO-66 metal-organic framework (MOF) can improve its water uptake ability at low relative humidity (RH). This computational study provides insights into the adsorption mechanism of water in UiO-66 and its functionalized derivatives, revealing the preferential interaction sites and the formation of localized water clusters inside the octahedral pores. The presence of functional groups allows water to cluster in the pores at lower RH, making the MOF a more efficient water harvester.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Robert B. Wexler, Gopalakrishnan Sai Gautam, Robert T. Bell, Sarah Shulda, Nicholas A. Strange, Jamie A. Trindell, Joshua D. Sugar, Eli Nygren, Sami Sainio, Anthony H. McDaniel, David Ginley, Emily A. Carter, Ellen B. Stechel
Summary: This study demonstrates the synthesis of the perovskite Ca2/3Ce1/3Ti1/3Mn2/3O3, which has high phase purity, stability, and desirable redox thermodynamics for solar thermochemical H2 production (STCH) with a predicted average neutral oxygen vacancy formation energy of 3.30 eV. Experimental results indicate that this material has comparable or greater H2 production capacity than other promising metal oxide perovskites. Quantum-based modeling reveals that Ce4+ reduction dominates the redox activity of Ca2/3Ce1/3Ti1/3Mn2/3O3, and X-ray absorption spectroscopy measurements confirm reversible Ce4+ to Ce3+ reduction. The refinement of Ce stoichiometry has the potential to further enhance the performance of this material.
ENERGY & ENVIRONMENTAL SCIENCE
(2023)
Article
Chemistry, Physical
Ziyang Wei, John Mark P. Martirez, Emily A. Carter
Summary: This article introduces the random phase approximation (RPA) as a method for treating electron correlation, which has been shown to outperform standard density functional theory (DFT) approximations in cases such as extended surfaces. By using sub-system embedding schemes, the RPA can be used to simulate heterogeneous reactions at a reduced computational cost. The authors explore two embedded RPA approaches, periodic emb-RPA and cluster emb-RPA, and validate them in the H-2 dissociative adsorption on Cu(111) surface, finding that cluster emb-RPA accurately reproduces the energy profile while significantly reducing computational cost.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Jan-Niklas Boyn, Emily A. Carter
Summary: The dehydration of aqueous calcium and magnesium cations is a fundamental process controlling their reactivity and plays a crucial role in carbon capture techniques. Understanding the dehydration dynamics of these cations is important for utilizing seawater as a source of carbon storage through the formation of carbonate minerals. However, there is limited atomic-scale understanding of the dehydration process.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(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)