Article
Chemistry, Physical
Jincheng An, Zhifeng Tian, Li Zhang, Xichuan Yang, Bin Cai, Ze Yu, Liyan Zhang, Anders Hagfeldt, Licheng Sun
Summary: Three novel push-pull dyes, AJ502, TZ101 and TZ102, were synthesized and used as co-sensitizers in dye-sensitized solar cells (DSSCs). Among them, the co-sensitization of AJ502 with TZ101 and TZ102 significantly improves the power conversion efficiency of the DSSC, with the fluorine atoms in TZ101 playing a critical role in widening the active light capturing bands on the TiO2 film.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)
Article
Chemistry, Physical
Shengbo Zhu, Yongliang Liu, Yilin Su, Xiaoling Niu, Bingyang Lu, Hongwei Zhou, Wenzhi Zhang, Weixing Chen, Ran Chen, Xinbing Chen, Zhongwei An
Summary: Inhibition of electron recombination and dye aggregation is an effective strategy to enhance the power conversion efficiency of co-sensitized solar cells. In this study, the addition of EA and the introduction of oxyalkyl chains in the triphenylamine donor were found to significantly improve the molar absorbance of dye molecules and inhibit charge recombination and dye aggregation, leading to an increase in short-circuit current density. Moreover, the PCE of dye-sensitized solar cells based on the ternary co-sensitization system was greatly improved.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Review
Environmental Sciences
Mary Rosana Nalzala Thomas, Vincent Joseph Kanniyambatti Lourdusamy, Aparna Annamalai Dhandayuthapani, Vijayalakshmi Jayakumar
Summary: The emergence of novel technologies has led to the necessity for environmental and economic integration, with a focus on energy consumption. Renewable resources like solar and wind energy are being opted for to meet future needs, with dye-sensitized solar cells considered as a better alternative due to their ability to function under various conditions.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2021)
Article
Materials Science, Multidisciplinary
Ahmed S. Radwan, Mohamed R. Elmorsy, Ehab Abdel-Latif, Mohamed M. Makhlouf, Safa A. Badawy
Summary: This investigation presents the synthesis and design of four innovative organic dyes (MRS-1-4) as co-sensitizers for dye-sensitized solar cells (DSSCs), which enhance the photovoltaic performance of the cells. Characterization and evaluation of the dyes' photovoltaic performance were conducted using various techniques. The co-sensitization of MRS-1-4 dyes with N719 led to a significant improvement in the power conversion efficiency of the cells.
Review
Chemistry, Multidisciplinary
Zhemin Li, Qizhao Li, Chengjie Li, Yongshu Xie
Summary: Dye-sensitized solar cells (DSSCs) have the advantages of environmental friendliness, easy fabrication, and rich colors, making them promising for applications in architectural decoration and power supply for low energy devices. However, porphyrin dyes used in DSSCs still suffer from absorption defects and aggregation tendencies. In order to address these issues, various approaches have been developed to achieve panchromatic absorption and high efficiency.
MATERIALS CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Multidisciplinary
Eun Ji Cho, Jung Keun Cha, Guiming Fu, Hyun Soo Cho, Hyung Woo Lee, Soo Hyung Kim
Summary: This study reports the fabrication of panchromatic dye-sensitized solar cells and systematically examines the effect of different dye sensitization methods on the performance of the cells. The results show that sensitizing dyes with high and low light absorbance values on the bottom and top layers, respectively, improves the performance of panchromatic DSSCs.
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Giuseppe Consiglio, Adam Gorcynski, Salvatore Petralia, Giuseppe Forte
Summary: In this study, the energy conversion efficiency of a novel class of organic dyes for dye-sensitized solar cells (DSSCs) was predicted using density functional theory (DFT) simulations. The role of the anchoring group in connecting the linker and the surface was investigated. It was found that the variations in UV/VIS absorption spectra had a slight impact on the light harvesting efficiency (LHE), while the electron injection efficiency (phi(inj)) and electron collection efficiency (eta(coll)) did not affect the short-circuit current density (J(SC)) values. The open-circuit voltage (V-oc) was theoretically predicted, and PY-4N and PY-3N dyes showed the highest V-oc values, attributed to a favorable recombination rate related to the energy gap between the HOMO level of the dyes and the conduction band minimum (CBM) of the surface. PY-4N and PY-3N dyes were predicted to have remarkably high photoelectric conversion efficiency (PCE) values, making them potential candidates for DSSCs.
DALTON TRANSACTIONS
(2023)
Article
Multidisciplinary Sciences
Mohamed R. Elmorsy, Fatma H. Abdelhamed, Safa A. Badawy, Ehab Abdel-Latif, Ayman A. Abdel-Shafi, Mohamed A. Ismail
Summary: This study reports on the synthesis and characterization of six novel 2,2'-bithiophene-based organic compounds that can serve as co-sensitizers for dye-sensitized solar cells based on TiO2. The compounds were designed to enhance the performance of metal-based N3, and absorption and fluorescence measurements confirmed their chemical structures. The co-sensitizer 5a exhibited the longest absorption and emission wavelengths, indicating the impact of the para methoxy group. The performance of the co-sensitizers mixed with N3 was better than N3 alone, with improvements in short current density and open circuit voltage. Electrochemical impedance spectroscopy revealed the charge transfer resistance at the TiO2/dye/electrolyte interface, and theoretical calculations based on density functional theory supported the experimental findings. These results suggest that the compounds have great potential as efficient co-sensitizers for DSSCs.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Physical
Samar Y. Al Name, Aisha Hossan
Summary: This study synthesized and characterized two novel metal-free dyes, MOS-1 and MOS-2, for use in dye-sensitized solar cells (DSSCs). The co-sensitization of MOS-1, MOS-2, and N719 showed the highest efficiency, attributed to broader absorption and efficient electron injection. The use of incident photon to current efficiency (IPCE) and electrochemical impedance spectroscopy (EIS) provided further insights into the photovoltaic enhancements.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Salhah D. Al-Qahtani, Rua B. Alnoman, Nada M. Alatawi, Kholood M. Alkhamis, Abrar Bayazeed, Amerah Alsoliemy, Nashwa M. El-Metwaly
Summary: Three novel azo thiazole organic dyes, NA-1-3, were synthesized and used as co-sensitizers in dye-sensitized solar cells (DSSCs). The co-sensitized DSSCs showed improved photovoltaic performance compared to N719, with enhanced short-circuit and open-circuit photocurrents (Jsc) and voltages (Voc). The improvements were attributed to the effective reduction of electron recombination through co-sensitization.
JOURNAL OF SAUDI CHEMICAL SOCIETY
(2023)
Article
Energy & Fuels
Dheeraj Devadiga, Muthu Selvakumar, Deepak Devadiga, Tantri Nagaraja Ahipa, Prakasha Shetty, Selvaraj Paramasivam, Shanmugam Senthil Kumar
Summary: In this study, the photovoltaic capabilities of a metal-free organic dye (CDIB) as a sensitizer and co-sensitizer for dye-sensitized solar cells (DSSCs) were investigated. The efficiency of the DSSC with CDIB sensitizer and IL-15% electrolyte reached 1.86%. Furthermore, the power conversion efficiency of DSSC with co-sensitized dye was increased by 23.29%, mainly due to an increase in short-circuit current density and open-circuit voltage.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Chemistry, Applied
Xiaoyu Zhao, Meifeng Wang, Zhiwang Cai, Daoyu Xia, Lei Zhao, Qingwei Song, Yiru Qin, Wei Wei
Summary: By optimizing the Yb3+ doping concentration and particle size, and selecting suitable organic dye sensitizers, the performance of dye-sensitized UCNPs can be maximized, with dye sensitization proving to be more favorable for smaller-sized UCNPs.
Article
Energy & Fuels
Deeksha Kharkwal, Nidhi Sharma, Saral Kumar Gupta, Chandra Mohan Singh Negi
Summary: The study found that using a co-sensitized dye as a photosensitizer can increase the power conversion efficiency of dye-sensitized solar cells, mainly due to the significant increase in open-circuit voltage and reduction in charge recombination. Impedance spectroscopy analysis showed that co-sensitized dye-based DSSC has higher charge recombination resistance and longer carrier lifetime.
Article
Chemistry, Applied
Yongjie Ding, Jianhua Li, Shuaishuai Liu, Yanfang Tan, Kaihang Shi, Yunfei Jiao, Baoxiu Mi, Wenjuan Xu, Zhiqiang Gao
Summary: Two new phenothiazine dyes CBPTZ-BTD1 and CBPTZ-BTD2 were designed and synthesized in this work, with CBPTZ-BTD2 showing higher dye loading and strengthened ICT effect compared to CBPTZ-BTD1, resulting in better photovoltaic performance.
Article
Chemistry, Physical
Shengbo Zhu, Wei Li, Bingyang Lu, Ran Chen, Yongliang Liu, Weixing Chen, Xiaoling Niu, Wenzhi Zhang, Xinbing Chen, Zhongwei An
Summary: In this study, three organic fluorine-containing dyes were designed and synthesized, and it was found that the introduction of fluorine can significantly broaden the absorption spectra of the dyes, but does not improve the light-harvesting capability of solar cells. One of the dyes, with fluorine substitution at the 3-position, showed a relatively high open-circuit photovoltage compared to the fluorine-free dye, and when co-sensitized with other dyes, it achieved a remarkably high power conversion efficiency and long-term stability. This work suggests that judicious molecular engineering and co-sensitization are promising strategies for highly efficient and stable solar cells.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Chuan Yan, Dongyue An, Weinan Chen, Ning Zhang, Yanjun Qiao, Jing Fang, Xuefeng Lu, Gang Zhou, Yunqi Liu
Summary: A mild one-step synthesis strategy has been developed to produce a new family of TTM radical derivatives. By introducing different diarylamine substituents on the TTM radicals, the photoluminescence properties and structures can be controlled. The oxidation of the diarylamine-substituted TTM radicals reveals their unusual structures and slow valence tautomerization process.
Article
Nanoscience & Nanotechnology
Meijuan Chang, Dingli Liang, Fan Zhou, Haodong Xue, Hao Zong, Weinan Chen, Gang Zhou
Summary: Ammonium cations and sulfonate anions were used as end-caps for alkyl viologens with thiophene-derived bridges to achieve photochromic and electrochromic behaviors in polyacrylamide hydrogels. The incorporation of thiophene bridges expanded the photoresponse range and stabilized the photoinduced radical intermediate. The hydrogels with ammonium-modified viologens showed lower transmittance contrast losses in electrochromic devices due to a higher number of cation-anion pairs and higher solubility in aqueous media.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Multidisciplinary
Shoudong Xie, Weinan Chen, Si Liu, Hao Zong, Binbin Ming, Gang Zhou
Summary: A catalyst-free intramolecular [4 + 2] annulation reaction has been developed for the synthesis of fluoranthenes with functionalized substituents at different positions. By tuning the substituents on thiophenes and alkynes, various functional groups can be precisely introduced into the fluoranthene framework, and the conjugation can be easily extended. Density functional theory calculations confirm the feasibility of this reaction. Therefore, this method provides a synthetic methodology for fluoranthenes and a pathway for constructing polycyclic aromatic hydrocarbons containing fluoranthene moieties.
CHINESE CHEMICAL LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Binbin Ming, Chuan Yan, Shoudong Xie, Si Liu, Yingjian Ren, Hao Zong, Weinan Chen, Gang Zhou
Summary: In this study, a series of thiepine-containing polycyclic S-heterocycles were synthesized via different methods, improving the thermal stability of the thiepine derivatives. Nucleus-independent chemical shift calculations revealed aromatic and nonaromatic characteristics of the incorporated thiopyran and thiepine rings, respectively. The findings provide a facile synthetic methodology for S-fused multi-membered polycyclic heterocycles and a novel construction strategy for thermally stable thiepine derivatives.
CHINESE JOURNAL OF CHEMISTRY
(2023)
Article
Multidisciplinary Sciences
Zixiao Wang, Julio L. Palma, Hui Wang, Junzhi Liu, Gang Zhou, M. R. Ajayakumar, Xinliang Feng, Wei Wang, Jens Ulstrup, Alexei A. Kornyshev, Yueqi Li, Nongjian Tao
Summary: Single-molecule electrochemical science has made significant advancements in molecular electronics functions, particularly rectification. This article proposes an experimental and theoretical strategy for in situ rectification in symmetric molecular structures in an electrochemical environment. By independently controlling the electrochemical potential of the tip and substrate electrodes, single-molecule rectification is observed. The polarity and amplitude of the rectification can be tuned by varying the energy and electrolyte concentration. The study provides a promising approach for building controllable single-molecule rectifying devices without the need for asymmetric molecular structures.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Chemistry, Multidisciplinary
Xiang Zhao, Xuan Qiu, Haodong Xue, Si Liu, Dingli Liang, Chuan Yan, Weinan Chen, Yonggang Wang, Gang Zhou
Summary: Organic p-type cathode materials have gained attention for their higher redox potentials and rate capabilities. However, most of the p-type cathodes based on one-electron redox still have limited stability and low specific capacity. In this study, two polymers, CPP and NCPP, containing two-electron redox dihydrophenazine, were developed as p-type cathode materials. The results show that the conjugated linkage in CPP is more favorable for charge delocalization and oxidation at higher potentials, leading to a higher reversible specific capacity of 184 mAh g(-1) and excellent cycling stability.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Weinan Chen, Si Liu, Yingjian Ren, Shoudong Xie, Chuan Yan, Zhanglang Zhou, Gang Zhou
Summary: Three S-fused PAHs with cyclopenta[b]thiopyran moieties were successfully synthesized and showed significant halochromic properties. The longest PAH exhibited absorption onset at 1110 nm and was selectively protonated by stronger acid. The non-emissive S-fused PAHs showed strong fluorescence after protonation, which violated the Kasha's rule.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Materials Science, Multidisciplinary
Chuan Yan, Jing Fang, Jiangyu Zhu, Weinan Chen, Min Wang, Kai Chi, Xuefeng Lu, Gang Zhou, Yunqi Liu
Summary: Donor engineering is crucial in modulating the intramolecular charge transfer interactions and performance of donor-acceptor molecules for further applications. Compared to the complex molecular skeleton exploitation, optimizing the donor number and substitution position is easier and more efficient. In this study, diphenylamine (DPA) units were incorporated into tris(2,4,6-trichlorophenyl)methyl (TTM) radicals from different directions. The effects of donor number and substitution position on ICT interactions and photothermal conversion performance were investigated. The results showed that multi-DPA units on the unilateral arm of the TTM unit resulted in red-shifted absorption maxima and high photoluminescence quantum yields, contributing to efficient photothermal conversion.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Organic
Si Liu, Zhanglang Zhou, Jing Fang, Min Wang, Hao Zong, Weinan Chen, Gang Zhou
Summary: This study focuses on the synthesis challenges of organotellurium molecules compared to other chalcogen-containing compounds. A PtCl2-catalyzed ring-expansion reaction on tellurophene derivatives was attempted, resulting in the unexpected production of tellurium-free vinylogous pentafulvalene analogues instead of telluropyrans. By incorporating bulky phosphine ligands into the PtCl2 catalyst, a ring-expansion cyclization towards neutral telluropyran derivatives from the corresponding tellurophene compounds was successfully developed. The mechanisms of both the ring-opening and the ring-expansion reactions were proposed and verified. Additionally, the obtained telluropyran derivatives showed good tolerance in metal-related reagents and the conjugation could be easily extended via various transition metal-catalyzed coupling reactions.
ORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Nanoscience & Nanotechnology
Hao Zong, Min Wang, Weinan Chen, Zhong-Da Zhang, Jia-Wei Cai, Cong Shen, Li-Xing Li, Shui-Long Kang, Yuan Fang, Gang Zhou, Sui-Dong Wang
Summary: A comparison of organic single crystals of different dimensions but with the same material reveals insights into their carrier injection mechanism. Two-dimensional (2D) and microrod single crystals with identical crystalline structure of a thiopyran derivative, C8-SS, were grown on a glycerol surface. Organic field-effect transistors (OFETs) based on the 2D C8-SS single crystal exhibit superior performance, especially in contact resistance (RC). RC is found to be influenced by the resistance of the crystal bulk in the contact region, with the 2D OFETs having significantly reduced RC due to their tiny thickness. The 2D OFETs demonstrate high operational stability and channel mobility up to 5.7 cm2/V center dot s, highlighting the potential of 2D molecular single crystals in organic electronics.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Xuan Qiu, Jie Xu, Kang Zhou, Xin Huang, Mochou Liao, Yongjie Cao, Gang Zhou, Peng Wei, Yonggang Wang
Summary: By combining single-electron and multi-electron units, a new molecule named PTZAN was designed as a high-capacity and stable p-type organic electrode material. The PTZAN-Zn battery exhibited excellent performance with high stability, voltage, capacity, and energy density.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Organic
Si Liu, Weinan Chen, Chuan Yan, Fan Zhou, Zhanglang Zhou, Min Wang, Gang Zhou
Summary: Incorporating tellurium into polycyclic compounds can give them unique chemical and optoelectronic properties not found in their lighter chalcogen counterparts. A telluropyran-containing polycyclic compound (T1) synthesized from the corresponding tellurophene analogue can be reversibly oxidized into halogen adducts T1 center dot X-2 (X=Cl, Br, I) with the formation of two Te-X bonds. The oxidation of Te(II) in T1 to Te(IV) in T1 center dot X-2 triggers a transition from aromaticity to nonaromaticity in the six-membered telluropyran ring.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Dingli Liang, Zeying Guo, Yangzhe Su, Fan Zhou, Min Wang, Weinan Chen, Gang Zhou
Summary: Inserting a conjugated bridge between the two pyridinium units of the viologen is an effective approach to tuning the colorations of the viologen derivatives. The relationship between the charge density on the viologen bridge and the related photochromic and electrochromic properties has been rarely studied. Three conjugated bridges with different charge densities were incorporated between the two pyridinium units of ammonium-functionalized viologens, expanding the coloration scope and improving the chromic properties. An EC device based on AQV hydrogel exhibited high optical contrast, fast switching time, and no decay in optical contrast after 1000 cycles.
ADVANCED MATERIALS TECHNOLOGIES
(2023)
Article
Nanoscience & Nanotechnology
Fan Zhou, Dingli Liang, Si Liu, Zeying Guo, Min Wang, Gang Zhou
Summary: In this study, ammonium-functionalized colorless viologen derivatives were used as the chromes in water-based, additive-free chromic inks for inkjet printing. The rheological properties of the inks were optimized by selecting appropriate cosolvents. The printed patterns on flexible substrates showed responsiveness to both light and electric stimuli, making them suitable for information display and encryption applications.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Organic
Yingjian Ren, Zhanglang Zhou, Weinan Chen, Si Liu, Min Wang, Gang Zhou
Summary: In this study, unexpected 6-endo-dig and ring-expansion cycloisomerizations were discovered for ortho-disubstituted thiophene derivatives with 1-en-3-yne moieties in the presence of PtCl2. The reaction pathway was found to be determined by the substrate structure. A benzo[b]thiophene derivative was obtained through a 6-endo-dig cyclization with a [1,2]-alkyl shift when the CvC double bond belonged to an aromatic ring, while a ring-expansion cyclization reaction occurred when the double bond came from an aliphatic alkene, resulting in a cyclopenta[c]thiapyran analogue. The proposed mechanisms of both reactions were verified by density functional theory calculations.
ORGANIC CHEMISTRY FRONTIERS
(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)