Article
Chemistry, Physical
Tingshuai Li, Jiaojiao Xia, Haohong Xian, Qiru Chen, Ke Xu, Yang Gu, Yonglan Luo, Qian Liu, Haoran Guo, Enrico Traversa
Summary: In this study, it is reported that Fe ion grafted on MoO3 nanorods can enhance the electron harvesting ability and the selectivity of H+ during the nitrogen reduction reaction in neutral electrolyte. The electrocatalyst showed remarkable ammonia yield and Faradaic efficiency under experimental conditions.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Environmental Sciences
G. Ramalingam, C. Maria Magdalane, B. Arjun Kumar, R. Yuvakkumar, G. Ravi, A. Irudaya Jothi, Naresh Kumar Rotte, G. Murugadoss, Antony Ananth
Summary: Cadmium selenide (CdSe) semiconductor nanorods were prepared using hydrazine hydrate and ammonia as reducing agents in a hydrothermal process, resulting in reduced stacking faults and high photocatalytic efficiency. The CdSe nanorods exhibited a crystalline size of 20-30 nm and a bandgap of 2.17 eV, with the presence of oxygen vacancy defects indicated in the photoluminescence spectrum.
ENVIRONMENTAL RESEARCH
(2022)
Article
Engineering, Electrical & Electronic
Muhammad Khalid Hussain, N. R. Khalid, M. B. Tahir, Muhammad Tanveer, Tahir Iqbal, Maira Liaqat
Summary: A novel ternary ZnO/CuO/MoO3 (ZnO/CuO/M) heterojunction photocatalyst with nanorods morphology was synthesized by hydrothermal treatment. The photocatalytic activity of the ZnO/CuO/M nanorods was significantly improved compared to pristine ZnO, CuO, MoO3, and the binary CuO/M composite. The improved performance can be attributed to the efficient transfer and separation of photoexcited charge carriers in the ZnO/CuO/M heterojunction.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2023)
Article
Materials Science, Multidisciplinary
Hui Yang, Lu Jia, Zhipeng Zhang, Bin Xu, Qitao Zhang, Saisai Yuan, Yonghao Xiao, Zhaodong Nan, Ming Zhang, Yongcai Zhang, Teruhisa Ohno
Summary: In this study, the photocatalytic abilities of Fe ions doped ceria with different morphologies for gaseous acetaldehyde degradation were compared. The results showed that Fe/CeO2-r nanorods exhibited 4.72 times higher photooxidation ability for acetaldehyde removal compared to pure CeO2-r nanorods. The analysis revealed that Fe/CeO2-r and CeO2-r mainly exposed {110} and {100} facets, while CeO2 and Fe/CeO2 with cube morphology mainly exposed {100} facets. The study also confirmed that Fe/CeO2 {110} is more conducive to acetaldehyde absorption and carbon dioxide desorption, and the doping of Fe ions improves the photocatalytic efficiency of ceria-based photocatalysts.
APPLIED MATERIALS TODAY
(2022)
Article
Chemistry, Physical
Zhipeng Lu, Yingzhi Cheng, Li Xue, Haining Wang, Hongtao Lin, Xiuyu Sun, Zhichao Miao, Shuping Zhuo, Jin Zhou
Summary: The removal of low concentration pollutants in water is crucial for environmental remediation. MCr-LDHs/BiOBr heterojunction nanocomposites were fabricated, which exhibited higher photocatalytic degradation activities for various organic pollutants under visible light. The composite catalysts showed excellent degradation performance and reusability, and have potential application prospects for water treatment.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Engineering, Environmental
Ashok Kumar Chakraborty, Sumon Ganguli, Md Abdus Sabur
Summary: Photocatalysis is a promising technique that uses semiconductor metal oxides under solar energy to mineralize organics in air and water. Nitrogen-doped titanium dioxide (N-TiO2) has attracted attention due to its ability to absorb visible spectrum by lowering the band gap of pristine TiO2. Extensive research has been conducted on the synthesis methods, environmental application, and characterization techniques of N-TiO2.
JOURNAL OF WATER PROCESS ENGINEERING
(2023)
Article
Engineering, Chemical
Yanan Tian, Jun Li, Han Zheng, Xinxin Guan, Xiaoli Zhang, Xiucheng Zheng
Summary: In this study, Ni2+-doped Bi4O7 nanorods were successfully prepared by a hydrothermal method, and it was found that doping could enhance the photocatalytic performance. By optimizing the doping ratio, the material exhibited significantly higher degradation efficiency for rhodamine B and ciprofloxacin under visible light irradiation compared to pure Bi4O7, and it also showed good cycling stability. The results indicate that this material with broad-spectrum photoresponse has great potential in environmental remediation.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Environmental Sciences
Yawen Fei, Ning Han, Minghui Zhang, Feixue Yang, Xiaobing Yu, Lilong Shi, Alireza Khataee, Wei Zhang, Dongping Tao, Man Jiang
Summary: In this study, graphite-phase carbon nitride photocatalytic materials with excellent optical properties and strong visible light absorption were successfully prepared by one-step calcination method. The photocatalytic degradation of methylene blue and potassium butyl xanthate was achieved with high efficiency. The initial pollutant concentration, catalyst dosage, and pH value were found to have significant effects on the photocatalytic activity.
Article
Materials Science, Ceramics
T. Govindaraj, C. Mahendran, R. Marnadu, Mohd Shkir, V. S. Manikandan
Summary: Novel Gadolinium doped WO3 nanorods (Gd@WO3 NRs) were synthesized through a facile hydrothermal method and showed significant enhancement in photocatalytic activity, especially with 5 wt% Gd doping which improved the separation of photogenerated electron-hole pairs. Recycling test confirmed the stability of the photocatalyst after three cycles, making Gd@WO3 NRs a superior catalyst for reducing organic pollutants.
CERAMICS INTERNATIONAL
(2021)
Article
Chemistry, Physical
Yu Cao, Shi Nee Lou, Sicong Wang, Hui Yang, Qitao Zhang, Chengyin Wang, Naoya Murakami, Teruhisa Ohno
Summary: This study investigates the potential of Pt sensitizers as co-catalysts for visible light photocatalytic degradation of acetaldehyde. The Pt(II) oxide/TiO2 catalyst shows the best photocatalytic activity but suffers from stability issues. Surface modification with a Fe(III) oxide sensitizer layer enhances both the stability and activity of Pt(II) oxide/TiO2, leading to improved performance.
APPLIED CATALYSIS A-GENERAL
(2022)
Article
Chemistry, Physical
A. E. B. Lima, R. Y. N. Reis, L. S. Ribeiro, L. K. Ribeiro, M. Assis, R. S. Santos, C. H. M. Fernandes, L. S. Cavalcante, E. Longo, J. A. O. Osajima, G. E. Luz Jr
Summary: CuWO4-Pal nanocomposite was successfully synthesized and applied in the photodegradation of antibiotic CIP under visible-light irradiation. The study showed that the nanocomposite exhibited excellent photocatalytic performance for the degradation of CIP.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Engineering, Chemical
Jie Zhao, Yunning Chen, Renquan Guan, Xueying Cheng, Zhengkai Wu, Nana Zhao, Qingkun Shang, Yingnan Sun
Summary: In this study, the authors successfully prepared two composite photocatalysts, TiO2@PDI-NapSO3H and Fe-TiO2@PDI-NapSO3H, by bonding water-soluble PDI derivatives with TiO2 or iron-doped TiO2. These photocatalysts showed improved performance in degrading phenol and diclofenac sodium (DCF) under visible light. The addition of PDI-NapSO3H enhanced the optical absorption properties of TiO2, while the doping of Fe in TiO2 prevented the recombination of photogenerated carriers. The Fe-TiO2@PDI-NapSO3H exhibited higher photocatalytic activity compared to TiO2@PDI-NapSO3H, with almost 99% degradation of phenol or DCF achieved within 90 or 120 minutes, respectively. The authors also discussed the effects of energy band structure and photogenerated carrier separation efficiency on the photocatalytic performance of Fe-TiO2@PDI-NapSO3H through various analyses. They proposed possible degradation pathways of DCF and explained the reduction of environmental toxicity after photocatalytic degradation.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Environmental Sciences
Weiguo Xu, Jun Xu, Qiuya Zhang, Zeping Yun, Qiaosheng Zuo, Liping Wang
Summary: The study successfully prepared a visible light-driven carbon nanodots/MIL-100(Fe) photocatalytic material using an in situ synthesis method, which showed high efficiency in degrading tetracycline. The superior performance of the composite material is attributed to the ability of carbon nanodots to act as acceptors and donors of electrons, promoting electron transfer and inhibiting electron-hole recombination. Additionally, the composite material demonstrated high stability after multiple cycles of the photodegradation reaction.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2022)
Article
Engineering, Chemical
Chen Wang, Zewei Hu, Wei Lou, Mingjie Huang, Wei Xiang, Tao Zhou, Juan Mao, Xiaohui Wu
Summary: This study has shown that the Fenton fluidized bed (FFB) technology can successfully immobilize As ions on IC carriers, while also crystallizing ferric and mineralizing organic pollutants. The immobilization of As(V) on the IC carriers occurs rapidly through surface favorable bidentate complexion, while the removal of As(III) through adsorption is slow. The addition of Fe3+ inhibits As(V) immobilization but promotes oxidative crystallization of Fe(II) and As(III). As a result, efficient co-crystallization of As(V)/Fe(III) is achieved.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Materials Science, Ceramics
Lu Yang, Chunyan Du, Shiyang Tan, Zhuo Zhang, Jiahao Song, Jing Chen, Yin Zhang, Shitao Wang, Guanlong Yu, Hong Chen, Lu Zhou, Jing Chen
Summary: The Fe3+-doped bismuth molybdate (Fe-Bi2MoO6) composite photocatalyst was synthesized to improve the separation rate of electron-hole pairs, enhancing photocatalytic activity for the degradation of Rhodamine B under visible light irradiation. The introduction of Fe3+ broadened the light absorption range and increased the electron density of Bi2MoO6 nanosheets, leading to improved photocurrent density and prolonged carrier lifetime. Additionally, the composite exhibited good stability with 83.2% RhB removal rate after four cycles of reuse, showing potential for practical removal of organic pollutants using solar light.
CERAMICS INTERNATIONAL
(2021)
Article
Engineering, Environmental
Aradhana Singh, Umair Alam, Priyanka Chakraborty, Basker Sundararaju, Nishith Verma
Summary: An effective strategy to combat rising CO2 levels is to convert CO2 to value-added chemicals using microalgal technology. The study demonstrates the production of formate from CO2 using Chlamydomonas reinhardtii and Spirulina microalgae, enhanced by potassium-doped graphitic carbon nitride (K-g-C3N4). Experiments in a photobioreactor show that formate production is significantly increased with K-g-C3N4. This study proposes a clean route to low-carbon alternative production.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Umair Alam, Arin Pandey, Nishith Verma
Summary: A novel anthraquinone (AQ) integrated and S-scheme-based NiTiO3-gC(3)N(4) (NT-gCN) photocatalytic system is synthesized with an improved electron transfer rate for hydrogen production. The AQ-NT-gCN photocatalyst exhibits a significantly enhanced H-2 evolution rate, attributed to the spatial separation of charge carriers expedited by AQ. The radical trapping test data provide evidence for the S-scheme charge transfer mechanism in AQ-NT-gCN.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Energy & Fuels
Detlef Bahnemann, Peter Robertson, Chuanyi Wang, Wonyong Choi, Helen Daly, Mohtaram Danish, Hugo de Lasa, Salvador Escobedo, Christopher Hardacre, Tae Hwa Jeon, Bupmo Kim, Horst Kisch, Wei Li, Mingce Long, M. Muneer, Nathan Skillen, Jingzheng Zhang
Summary: As nations transition towards low or net zero carbon economies due to global climate change, the need for practical alternative fuels is urgent. Hydrogen gas is considered one of the most desirable substitutes for traditional hydrocarbons, but obtaining "green" hydrogen from low or zero carbon footprint sources presents challenges. Research focuses on practical techniques for producing "green" hydrogen through photocatalytic or photoelectrocatalytic processes. However, the capability of this technology to produce hydrogen at scale has faced significant issues. This road map article explores various aspects of photocatalytic and photoelectrocatalytic hydrogen generation, including processes, materials science, reactor engineering, and biomass reforming applications.
JOURNAL OF PHYSICS-ENERGY
(2023)
Article
Nanoscience & Nanotechnology
Reshalaiti Hailili, Xiaokaiti Reyimu, Zelong Li, Xu Lu, Detlef W. Bahnemann
Summary: Effective removal of dilute nitrogen oxide (NO, ppb) without NO2 emission is still challenging in environmental pollution control. The construction of photocatalysts with diversified microstructures and atomic arrangements has been found to promote NO adsorption, activation, and complete removal without secondary pollution. In this study, the microstructure of ZnO photocatalysts was regulated by altering the reaction temperature and alkalinity, resulting in enhanced NO removal and reduced NO2 yields through defect-related surface-interface aspects. Mechanistic exploitations revealed that regulated microstructures, defect-related charge carrier separation, and strengthened surface interactions contributed to improved NO removal and simultaneous avoidance of NO2 formation. This investigation sheds light on the facile regulation of microstructures and the roles of surface chemistry in the oxidation of low concentration NO in the ppb level upon light illumination.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Nanoscience & Nanotechnology
Thi Ngoc Ha Nguyen, Yossi Paltiel, Lech T. Baczewski, Christoph Tegenkamp
Summary: Propagation of electrons along helical molecules on surfaces exhibits a spin polarization effect called chirality induced spin selectivity. In this study, we investigated the structure of self-assembled chiral molecules and their electronic transmission and spin polarization using scanning tunneling microscopy and spectroscopy. We found phase separation of the molecules into well-ordered 2D hexagonal phases and quasi-1D heterochiral-dimer structures, which allowed for precise analysis of spin polarization. Our results demonstrate the importance of intermolecular interaction and coupling to the substrate in achieving high chirality induced spin selectivity.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Muhammad Kamran, Tarek A. Kandiel, Safwat Abdel-Azeim, Mohamed A. Morsy, Detlef W. Bahnemann
Summary: This article explores TiO2 nanomaterials as promising photocatalysts for NOx depollution from air under sunlight irradiation. Experimental results show that brookite TiO2 exhibits comparable photocatalytic activity to benchmark TiO2 P25 and higher selectivity towards the conversion of NOx into nitrate ions. The enhanced selectivity is attributed to the higher density of defects on brookite TiO2 surfaces, which facilitates the adsorption of NO2 while favoring the dissociative adsorption of water.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Jing Ma, Yang Tang, Gui Lu, Yu Wang, Wenke Niu, Dong Fu, Kai Zhang, Detlef W. Bahnemann, Jia Hong Pan
Summary: A PVDF/CB/TiO2 conductive membrane was fabricated through the hybridization of PVDF, mesoporous TiO2 spheres (MTS), and carbon black (CB). The membrane showed a highly porous structure and excellent photoelectrocatalytic (PEC) properties, achieving a high decolorization rate of methylene blue (MB) in a continuous cross-flow filtration process.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Nanoscience & Nanotechnology
Haoran Wang, Reshalaiti Hailili, Xiaoyu Jiang, Guoliang Yuan, Detlef W. Bahnemann, Xiong Wang
Summary: The successful construction of heterojunction facilitates the improvement of solar light utilization efficiency. In this study, visible-light-driven AgBr was deposited on the surface of lamellar BiVO4 to enhance charge carrier separation and photocatalytic effectiveness. The catalyst with an optimal AgBr/BiVO4 ratio exhibited significantly enhanced decolorization ability and high stability. The S-scheme carrier migration mechanism was investigated, revealing the effective charge carrier separation/transfer and the excellent photocatalytic performance.
Article
Chemistry, Multidisciplinary
Jakob Schlenkrich, Franziska Luebkemann-Warwas, Rebecca T. Graf, Christoph Wesemann, Larissa Schoske, Marina Rosebrock, Karen D. J. Hindricks, Peter Behrens, Detlef W. Bahnemann, Dirk Dorfs, Nadja C. Bigall
Summary: Destabilizing ligand-stabilized semiconductor nanocrystal solutions results in the formation of macroporous self-supporting nanocrystal networks called hydrogels, which have high surface accessibility. The delocalization of charge carriers in these gels extends their mobility and enhances photocatalytic reactions. Recent advances in colloid chemistry enable the synthesis of nanocrystals with specific physicochemical properties, which, when combined with nanocrystal-based hydrogels, can lead to novel materials with optimized photocatalytic properties. This study demonstrates that CdSe quantum dots, CdS nanorods, and CdSe/CdS dot-in-rod-shaped nanorods as nanocrystal-based hydrogels show significantly higher hydrogen production rates compared to their ligand-stabilized nanocrystal solutions. The gel synthesis through controlled destabilization by ligand oxidation ensures high surface-to-volume ratio, facilitates photocatalytic hydrogen production without a co-catalyst, and overcomes colloidal instability issues in photocatalysis. X-ray photoelectron spectroscopy and photoelectrochemical measurements confirm the advantageous properties of these 3D networks for photocatalytic hydrogen production.
Article
Chemistry, Multidisciplinary
Thi Thuy Nhung Nguyen, Stephen R. Power, Hrag Karakachian, Ulrich Starke, Christoph Tegenkamp
Summary: This study investigates the impact of edge and width variations of graphene nanoribbons on quantum confinement effects. The researchers found that regardless of the ribbon width, the band gaps near the edges of the nanoribbons are significantly reduced, and edge passivation plays a crucial role in determining the local electronic properties of epitaxial nanoribbons.
Editorial Material
Chemistry, Physical
Kangwoo Cho, Wonyong Choi, Detlef Bahnemann
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Editorial Material
Chemistry, Physical
Kangwoo Cho, Wonyong Choi, Detlef Bahnemann
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Materials Science, Multidisciplinary
Mohtaram Danish, Ziyaur Rasool, Haider Iqbal, Reesha Fatima, Shubham Kumar, Mohammad Muneer
Summary: Highly efficient vanadium doped ZnO nano-rods supported with MWCNTs (V@ZnO/MWCNT) were prepared by sol-gel impregnation method. Various characterization techniques were used to analyze the synthesized materials. The photocatalytic activity of V@ZnO/MWCNT was tested by studying the degradation of priority organic pollutants under UV light. V@ZnO/MWCNT showed the best photocatalytic activity among the synthesized nanocomposite materials.
MATERIALS ADVANCES
(2023)
Article
Engineering, Environmental
Haitao Ren, Fan Qi, Abdelkader Labidi, Ahmed A. Allam, Jamaan S. Ajarem, Detlef W. Bahnemann, Chuanyi Wang
Summary: In this study, carbon quantum dots (CQDs) with excellent fluorescence properties were prepared from apple leaf waste and used as a fluorescent probe for the detection of Fe3+ in aqueous environments. The CQDs exhibited high fluorescence stability, specific recognition ability for Fe3+, and recyclability.
ACS ES&T ENGINEERING
(2023)
Review
Chemistry, Applied
Nan Li, Chuanyi Wang, Ke Zhang, Haiqin Lv, Mingzhe Yuan, Detlef W. Bahnemann
Summary: This article introduces the application of semiconductor photocatalytic technology in the treatment of low concentration of NO, which can effectively reduce the harm of NO to the environment and human health, and has high economic benefits.
CHINESE JOURNAL OF CATALYSIS
(2022)
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)