Article
Chemistry, Multidisciplinary
Jingjie Du, Botao Zhang, Meng Jiang, Qihao Zhang, Keyi Zhang, Yan Liu, Lianjun Wang, Wan Jiang
Summary: The development of flexible thermoelectric devices presents exciting opportunities for wearable applications in various fields. However, scaling up nanotechnology-enabled thermoelectric materials and reducing manufacturing costs remain challenging. This study introduces an inkjet printing method to fabricate high-performance flexible thermoelectric devices. The use of a templated-directed chemical transformation process allows the synthesis of metal chalcogenide nanowires, which are turned into printable inks. The resulting inkjet-printed flexible films and devices show significantly improved performance compared to state-of-the-art inkjet-printed thermoelectrics, indicating the potential of this printing platform for scalable manufacturing of next-generation flexible thermoelectric devices.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Zhijun Wang, Ge He, Huazhou Zhang, Che Liao, Chi Yang
Summary: This study synthesized Pb2BiS2I3 nanowires using a hot-injection solution approach and investigated their application in photodetectors. The results showed that Pb2BiS2I3 nanowires had a narrow size distribution, excellent stability, and strong absorption in the visible-light region. The photodetector based on Pb2BiS2I3 nanowires exhibited excellent stability and photoresponse under different wavelengths of visible-light irradiation.
ACS APPLIED NANO MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Wei-Hong Wu, Yu-Quan Gao, Yu-Fei Lin, Yun-Yue Yuan, Cai-Hong Zhan, Zhan-Guo Jiang
Summary: In this study, the reaction mechanism responsible for the nucleation of {Ag32S3} clusters was investigated using various analytical techniques. Triphenylphosphorus sulfide was found to slow down the nucleation process, and a key precursor was identified, which reacted with Agn(CuCBut)m and traces of water to generate {Ag32S3} clusters. This mechanism provides valuable insights into the synthesis of inorganic magic-size clusters.
DALTON TRANSACTIONS
(2022)
Article
Materials Science, Multidisciplinary
Qi Li, Mingju Xian, Anhe Wang, Yi Jia, Shuo Bai, Xuehai Yen, Junbai Li
Summary: Dipeptides are biocompatible building blocks that can be assembled into various sensing materials. These sensors interact with force, electricity, light, and chemical stimulus to generate electrical, optical, and mechanical signals, making them applicable in microelectronics and healthcare fields. Dipeptide-based sensing materials have the advantages of biological molecules and also possess excellent mechanical and electrical properties. This perspective article summarizes the molecular assembly of dipeptides, focusing on their application as biogenic sensors, and discusses the challenges and prospects for the future development of dipeptide-based sensing materials.
Article
Chemistry, Multidisciplinary
Jin-Long Wang, Jian-Wei Liu, Si-Zhe Sheng, Zhen He, Jie Gao, Shu-Hong Yu
Summary: By coassembling W18O49 and V2O5 nanowires, a novel multicolor electrochromic device is demonstrated, which shows dynamic color change upon application of different electrochemical biases. The transparency and color of the device can be easily controlled by manipulating the layers and ratios of coassembled nanowires, allowing for the fabrication of different patterns with corresponding masks. This solid electrochromic device assembled from nanowires has significant potentials in smart windows and multicolor electrochromic displays.
Article
Energy & Fuels
Zhuangnan Li, Ismail Sami, Jieun Yang, Juntao Li, Ramachandran Vasant Kumar, Manish Chhowalla
Summary: This study presents the use of pre-lithiated metallic 1T phase two-dimensional molybdenum disulfide (LixMoS2) as a sulfur host material for high-performance lithium-sulfur batteries. The lithiation of conductive MoS2 nanosheets leads to improved adsorption of lithium polysulfides, enhanced Li+ transport, accelerated electrochemical reaction kinetics, and superior electrocatalytic activity. The pouch cell batteries based on this design deliver a high energy density of 441 Wh kg(-1) and 735 Wh l(-1), with a capacity retention of 85.2% after 200 cycles.
Article
Multidisciplinary Sciences
Santu Bera, Sarah Guerin, Hui Yuan, Joseph O'Donnell, Nicholas P. Reynolds, Oguzhan Maraba, Wei Ji, Linda J. W. Shimon, Pierre-Andre Cazade, Syed A. M. Tofail, Damien Thompson, Rusen Yang, Ehud Gazit
Summary: This study reports the creation of collagen-mimetic peptides which can be self-assembled into piezoelectric materials and explores the design characteristics necessary for optimized power generation.
NATURE COMMUNICATIONS
(2021)
Review
Chemistry, Multidisciplinary
Chao Gu, Hou-Ming Xu, Shi-Kui Han, Min-Rui Gao, Shu-Hong Yu
Summary: The article discusses the design principles and soft chemical approaches based on the metastable nature of metal chalcogenide nanomaterials, summarizes recent advances in their preparation and modification, and proposes prospects for future development.
CHEMICAL SOCIETY REVIEWS
(2021)
Article
Materials Science, Multidisciplinary
Farzane Hasheminia, Yaser Bahari, Ali Rajabpour
Summary: This study investigates the thermal conductivity of LiSi (1:1) alloy nanowires using a second nearest neighbor modified embedded atom (2NN MEAM) interatomic potential and a non-equilibrium molecular dynamics approach. The results show that the thermal conductivity is influenced by the nanowire length, cross-sectional width, and system temperature. The thermal conductivities range from 1.5-3.0 W/(m K), indicating suppressed heat transfer in the material. This study is important for thermal management and safety considerations in the anode design of Si nanowires in Li-ion batteries.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2023)
Article
Chemistry, Multidisciplinary
Wei Zhao, Kangpeng Jin, Liangwei Fu, Zhan Shi, Biao Xu
Summary: In this study, a solvothermal synthesis method assisted by a syringe-pump was used to produce Bi2S3-supported Pt single-atom materials. These materials showed high doping efficiency and enhanced Seebeck coefficient, resulting in a high power factor and minimum thermal conductivity. Additionally, they exhibited a record-high zT value at high temperatures, indicating their potential applications.
Review
Chemistry, Multidisciplinary
Jiahao Zhang, Yancheng Wang, Brian J. Rodriguez, Rusen Yang, Bin Yu, Deqing Mei, Junbai Li, Kai Tao, Ehud Gazit
Summary: Peptide self-assemblies have attracted increasing interest due to their intriguing and tunable physicochemical properties, but their applications are limited by their micro/nano-scale dimensions. To overcome this limitation and realize the practical utilization of bio-organic super-architectures, researchers have focused on peptide microfabrication to integrate the properties of individual supermolecules and create higher-level organizations for functional devices. This review summarizes the recent advancements in peptide microfabrication, discussing various methodologies, properties, and applications of engineered peptide large-scale, highly-ordered organizations. The current limitations of microfabrication strategies are also critically evaluated, and alternative solutions are proposed.
CHEMICAL SOCIETY REVIEWS
(2022)
Article
Chemistry, Multidisciplinary
Chun-Hua Gong, Xiao-Zong Hu, Zhen Han, Xiao-Fei Liu, Min-Zi Yang, Shuang-Quan Zang
Summary: This study achieved the epitaxial coordination assembly of a Ag-S layer into a three-dimensional semi-conductive framework using a carboxylic acid linker, showing high thermal stability and an interesting temperature-dependent luminescence response. It provides a new approach for preparing semi-conductive metal-chalcogenide layer-based materials in electricity-related applications.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Rakesh Kumar Gupta, Li Li, Zhi Wang, Bao-Liang Han, Lei Feng, Zhi-Yong Gao, Chen-Ho Tung, Di Sun
Summary: With the use of anion template-driven self-assembly, we have achieved precise control over the shape and size of silver nanoclusters, reporting the atomically precise structures of Ag37 and Ag46. The results reveal that Cl- ions serve as both local and global templates in Ag37, while CrO42- ions function as local templates with Cl- ions as global templates in Ag46. By utilizing the deep cavity of thiacalix[4]arene with an extended phenyl group, Ag46 has been successfully used as a host material for dye adsorption depending on the charge and size of organic dyes. The study fills the knowledge gap in understanding the directing role of heteroanions in dictating the shape and size of nanoclusters at the atomic level.
Article
Chemistry, Inorganic & Nuclear
Danrui Ni, Xin Gui, Bingzheng Han, Haozhe Wang, Weiwei Xie, Nai Phuan Ong, Robert J. Cava
Summary: The previously unreported layered compounds IrTe2I and RhTe2I were prepared and characterized by high-pressure synthesis method. The compounds crystallize in a layered orthorhombic structure in the non-centrosymmetric, non-symmorphic space group Pca2(1) (#29). The characterization results indicate that both compounds exhibit diamagnetic, high resistivity, semiconducting behavior, consistent with the chemical valence and electronic configurations for both iridium and rhodium and the Te-Te dimers observed in the structural study.
DALTON TRANSACTIONS
(2022)
Review
Chemistry, Inorganic & Nuclear
Tomoaki Tanase, Kanako Nakamae, Yasuyuki Ura, Takayuki Nakajima
Summary: This review surveys the studies over a couple of decades on multinuclear metal complexes constrained by linear and branched tri-, tetra-, and polydentate phosphine ligands. It focuses not only on 1D metal chains but on other 2D and 3D topological arrangements, highlighting the recently developed Pt and Pd based metal strings, photo-and electroluminescent coinage metal assemblies, and copper hydride multinuclear complexes.
COORDINATION CHEMISTRY REVIEWS
(2022)
Article
Chemistry, Multidisciplinary
Natarajan Sathiyamoorthy Venkataramanan, Ambigapathy Suvitha, Ryoji Sahara, Yoshiyuki Kawazoe
Summary: In this study, the formation of complexes between gemcitabine drug and host cucurbit[n]urils (Q[n]) was investigated using density functional theory (DFT). The most stable configuration was found to be a fully encapsulated complex. Thermodynamic parameters showed that the encapsulation process is spontaneous and driven by enthalpy. Molecular orbital analysis indicated that the encapsulation occurs through physical adsorption. Non-covalent interactions, including hydrogen bonding and C···F interactions, were responsible for stabilizing the complexes. The presence of steric repulsion and weak van der Waals interactions was observed.
STRUCTURAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Anjana Tripathi, Yoshiyuki Kawazoe, Ranjit Thapa
Summary: CO oxidation in the automobile industry requires efficient and stable catalysts with minimal metal loading. The study investigates the CO oxidation mechanism on single-atom catalysts and metal-boron centered single metal dual site catalysts using density functional theory. It is found that single-atom catalysts follow Eley-Rideal mechanism, while metal-boron centered catalysts are more likely to exhibit Langmuir-Hinshelwood mechanism. Microkinetic modeling identifies PtBN2op and AgBN2 catalysts with the best catalytic activity for CO2 production. Overall, this work explores the possibility of Langmuir-Hinshelwood mechanism in single-metal atom-based catalysts.
MOLECULAR CATALYSIS
(2023)
Article
Chemistry, Multidisciplinary
Minh-Tam Thi Nguyen, Nghia Le, Hai Truong Nguyen, Tram Diem Vu Luong, Van Kieu Thuy Nguyen, Yoshiyuki Kawazoe, Phuong Hoang Tran, Nguyen-Nguyen Pham-Tran
Summary: In this paper, a method for Friedel-Crafts acylation using metal triflate in deep eutectic solvents is developed. Different metal triflates were tested and showed excellent yields of corresponding ketone products. Density functional theory calculation revealed the metal effects on the formation of active intermediate acylium triflate and the acidic condition. The metal triflate in the deep eutectic solvent can be recovered and reused with minimal loss in catalytic activity.
Article
Metallurgy & Metallurgical Engineering
Kaoru Ohno, Riichi Kuwahara, Ryoji Sahara, Thi Nu Pham, Swastibrata Bhattacharyya, Yoshiyuki Kawazoe, Keisuke Fujisaki
Summary: The coarse-grained phase morphologies of the iron-rich region of FeSi alloys at 1,050 K were investigated using first-principles phase field and special quasirandom structure methods, without relying on any experimental or empirical information. The results show that a solid-solution-like homogeneous phase is most stable for Si concentrations less than 25 at%, with the appearance of a random pattern consisting of B2 Fe-4-xSix and D0(3) Fe3Si phases at around 12.5 at% Si at lower temperatures. It is conjectured that this random pattern is the origin of the zero magnetostriction and low magnetic anisotropy observed at 6.5 wt% Si. On the other hand, for Si concentrations slightly larger than 25 at%, FeSi alloys prefer two-phase coexistence of the D0(3) Fe3Si phase and the B2 FeSi phase. These findings are in good agreement with available experimental evidence.
ISIJ INTERNATIONAL
(2023)
Article
Physics, Multidisciplinary
V. R. Belosludov, K. V. Gets, R. K. Zhdanov, Yu. Yu. Bozhko, Y. Kawazoe
Summary: The isotopic effect of substituting superheavy water molecules for normal water molecules in ice (I-h) was investigated using the lattice dynamics method. The results showed that significant changes in the vibrational state density occurred only in the libration range when 12.5%, 50%, and 100% of water molecules were substituted. The temperature dependence of superheavy ice density was calculated, and a maximum density near 60 K was predicted. A linear relationship between the melting point of (T2O + H2O)-ice I-h and the T2O molecule concentration was observed.
JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS
(2023)
Article
Chemistry, Physical
Pratiksha P. Gawas, Arbacheena Bora, Rence P. Reji, Buthanapalli Ramakrishna, Praveen B. Managutti, Christian R. Goeb, Sharmarke Mohamed, Yoshiyuki Kawazoe, Surya Velappa Jayaraman, Yuvaraj Sivalingam, Venkatramaiah Nutalapati
Summary: Tuning the pi-conjugation and varying the functional units can enhance the response behavior towards VOCs. Five novel D-A molecular ensembles were developed by substituting C5 on 2-thiohydantoin with different electron-donating groups. The structure-property relationships were investigated through various analytical techniques. The results showed that electron-donating substituents can improve sensing performance by increasing electron density, while steric hindrance can modulate the performance.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Dongyuan Ni, Xiaoyin Li, Wei Sun, Akira Yoshikawa, Yoshiyuki Kawazoe, Qian Wang
Summary: Using first-principles calculations, we have designed a stable 3D all-sp2 carbon allotrope called oC32, which consists of dehydrogenized helical polyethylenes and dehydrogenized ethylenes. The absence of spin-orbit coupling leads to the existence of a Weyl-like loop in oC32, protected by time-reversal, spatial inversion, and mirror reflection symmetries. By breaking the spatial symmetries of oC32, topological phase transitions occur from the Weyl-like loop state to Weyl-like point states, which can be attributed to 2D sheets embedded in oC32. Carbon materials exhibit rich topological states and phase transitions due to their flexible bonding and negligible spin-orbit interaction.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2023)
Article
Physics, Applied
Tung Thanh Ngo, Uyen Tu Thi Doan, Quyen Truc Thi Vo, Truong Lam Huynh, Nam Hoang Vu, Hanh Kieu Thi Ta, Le Thi Mai Hoa, Yoshiyuki Kawazoe, Phuong Tuyet Nguyen, Ngoc Kim Pham
Summary: In this study, a thin film of methylammonium lead iodide (MAPbI(3)) was used as a switching layer in metal/MAPbI(3)/FTO devices, with Ag and Cr used as active and inert top electrodes, respectively. The Ag/MAPbI(3)/FTO structure displayed digital bipolar resistive switching (RS) behavior, while the Cr/MAPbI(3)/FTO device displayed analog RS behavior. Density functional theory simulations indicated that the different behaviors may be due to the interaction between the iodine vacancy defect and the metal contact properties. The findings suggest that organic-inorganic hybrid perovskite has potential for data storage.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2023)
Article
Biochemistry & Molecular Biology
Rodion V. Belosludov, Kirill V. Gets, Ravil K. Zhdanov, Yulia Y. Bozhko, Vladimir R. Belosludov, Li-Jen Chen, Yoshiyuki Kawazoe
Summary: Using molecular dynamics, the behavior of a metastable solution of methane + water was studied for different concentrations at low pressure. The formation of hydrate-like structures was observed at certain concentrations, suggesting a new mechanism of hydrogen-bond network reorganization that leads to hydrate growth. This study reveals the importance of supersaturation and cavity arrangement in the collective process of hydrate formation.
Article
Nanoscience & Nanotechnology
Rence Painappallil Reji, Sarath Kumar Chedharla Balaji, Yuvaraj Sivalingam, Yoshiyuki Kawazoe, Surya Velappa Jayaraman
Summary: This study investigates the sensing capability of Sc2CO2 MXene nanosheets for volatile organic compounds (VOCs) in exhaled breath, which could potentially serve as biomarkers for physiological disorders. The results show that Sc2CO2 has a higher interaction with 2-propanol, ethanol, and acetonitrile. The chemiresistive sensor behavior reveals that Sc2CO2 is highly sensitive to acetonitrile, while the change in work function of Sc2CO2 nanosheets indicates sensitivity to toluene and isoprene. This research suggests that Sc2CO2 MXene nanosheets can be used as dual-mode sensors for the detection of VOC biomarkers in exhaled breath.
ACS APPLIED NANO MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Jiahui Liu, Shuo Wang, Yoshiyuki Kawazoe, Qiang Sun
Summary: In this study, a new spinel chloride (Na2Y2/3Cl4) was investigated as a solid electrolyte for all-solid-state sodium-ion batteries. The spinel Na2Y2/3Cl4 exhibited high ionic conductivity and excellent electrochemical stability. Moreover, it has a wide electrochemical window and good interfacial stability, making it a promising candidate for improving the energy density of ASIBs.
ACS MATERIALS LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Chenxin Zhang, Jie Sun, Yiheng Shen, Cunzhi Zhang, Qian Wang, Akira Yoshikawa, Yoshiyuki Kawazoe, Puru Jena
Summary: Twisting in layered materials can effectively tune the interactions between particles or quasi-particles. In this study, the response of phonon coherence in bilayer penta-NiN2 to twisting is investigated, using the unified theory of phonon transport and high order lattice anharmonicity, as well as the self-consistent phonon theory. The results show that twisting reduces the lattice thermal conductivity by 80.6% and increases the contribution of phonon coherence by an order of magnitude. This work provides fundamental insights into the phonon interaction in twisted pentagonal sheets.
Article
Chemistry, Physical
Phuong Ngoc Nguyen, Trang Thanh Tran, Quynh Anh Thi Nguyen, Yoshiyuki Kawazoe, S. V. Prabhakar Vattikuti, Long V. Le, Viet Quoc Bui, Tuan Manh Nguyen, Nam Nguyen Dang
Summary: Visible-light-driven photocatalytic CO2 reduction is a promising approach for mitigating global warming and addressing the energy crisis. A Z-scheme photocatalyst composed of a Re(i) complex and a polymeric semiconductor (g-C3N4) effectively converts CO2 to CO under low-intensity visible light. The improved efficiency is attributed to electronic interaction between Re(i) and g-C3N4 and the enhanced electron injection from g-C3N4 to the Re(i) complex. Density Functional Theory (DFT) investigation reveals that the substrate-supported Re complex (Re(bpy-COOH)/g-C3N4) exhibits lower energy barriers for key CO2 reduction reactions compared to pure g-C3N4, leading to enhanced CO2RR activity. The findings provide valuable insights into CO2 reduction under different irradiation conditions.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Multidisciplinary
Thong Nguyen-Minh Le, Thu Bao Nguyen Le, Phat Tan Nguyen, Trang Thuy Nguyen, Quang Ngoc Tran, Toan The Nguyen, Yoshiyuki Kawazoe, Thang Bach Phan, Duc Manh Nguyen
Summary: Direct oxidation of methane over oxo-doped ZIF-204, a bio-mimetic metal-organic framework, is investigated using first-principles calculations. The modified ZIF-204 with doped oxo species is found to be a promising catalyst for methane oxidation, as it exhibits weak binding and efficient adsorption energy. The presence of the oxo group enables the reactions to occur via both a concerted direct oxo insertion mechanism and a hydrogen-atom abstraction radical rebound mechanism.
Article
Multidisciplinary Sciences
Hieu T. Hoang, Dai Cao Truong, Nguyen Huynh Tuan Anh, Yoshiyuki Kawazoe, Do Duc Cuong, Bach Thang Phan
Summary: First-principles electronic structure and Boltzmann transport calculations were used to study the electronic and thermoelectric properties of Ga-doped ZnO (GZO). GZO showed similar behavior with pristine ZnO, except for the position of Fermi level which was affected by the additional electron. It is suggested that controlling the Ga concentration can optimize the power factor of GZO.
ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING
(2023)
