Article
Materials Science, Multidisciplinary
Ashley L. Sutton, Brendan F. Abrahams, Christopher J. Commons, A. David Dharma, Lars Goerigk, Simon G. Hardin, Timothy A. Hudson, Richard Robson
Summary: This study investigates the coordination polymer [Cu-2(Me(2)pz)(TCNQ)]. The structure of the polymer consists of two-dimensional sheets with closer sheet-to-sheet separations than graphene sheets in graphite. Electrical conductivity measurements indicate semiconductor behavior. Density functional theory studies reveal a band structure dominated by donor TCNQ and acceptor Me(2)pz ligand orbitals. In addition, Cu(TCNQ) (phase I) crystal structure is also determined.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Materials Science, Multidisciplinary
Jari Jarvi, Milica Todorovic, Patrick Rinke
Summary: In this study, the precise film morphologies of organic charge transfer complexes (CTCs) grown on intercalated graphene are investigated using a global ab initio structure search method. By approximating the complex substrate with charged freestanding graphene, the stable structures of prototypical electron acceptor/donor molecules on supported graphene are identified. It is found that the molecules physisorb to graphene in various configurations, indicating the important role of molecule-molecule interactions in film formation.
Article
Chemistry, Multidisciplinary
Yun-Fang Yang, Yun-Chi Chiang, Yan-Cheng Lin, Guan-Syuan Li, Chih-Chien Hung, Wen-Chang Chen
Summary: This study demonstrates the excellent storage performance of supramolecular electrets based on charge-transfer in photonic FET memory, showing a wide memory window and favorable storage ratio. This is attributed to the favorable molecular association and dispersion between pyrene and TCNQ in the solid state.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Chemistry, Physical
Hye Soo Kim, Jin Young Koo, Hee Cheul Choi
Summary: We addressed the issue of low electrical conductivity in polycyclic aromatic hydrocarbons by forming molecular cocrystals with radical-generating molecules. Our study focused on the FA-TCNQ cocrystals prepared through mechanochemical and physical vapor transport processes. Treatment of FA-TCNQ cocrystals with hydrazine dramatically enhanced their electrical conductivity due to the generation of radicals in TCNQ, which acted as charge carriers. The results from electron paramagnetic resonance spectroscopy, Raman spectroscopy, and electrical device measurement confirmed the role of hydrazine reaction in the high conductivity of FA-TCNQ cocrystals.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Physical
Giovanni Spinelli, George H. Morritt, Michele Pavone, Michael R. Probert, Paul G. Waddel, Tomas Edvinsson, Ana Belen Munoz-Garcia, Marina Freitag
Summary: Two coordination complexes were synthesized by combining different metal centers with dithiolene complexes [M(mnt)(2)](2-) and a copper(II) coordination complex [Cu(Stetra)]. The Cu-Cu variant exhibited semiconductor behavior with a conductivity of approximately 2.5 x 10(-8) S cm(-1), whereas the Ni-Cu variant showed no observable conductivity. Computational studies revealed that Cu-Cu had lower reorganization energy losses, resulting in a lower barrier to the charge transfer process, which explains its higher conductivity.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Chemistry, Physical
Giovanni Spinelli, George H. Morritt, Michele Pavone, Michael R. Probert, Paul G. Waddel, Tomas Edvinsson, Ana Belen Munoz-Garcia, Marina Freitag
Summary: Two coordination complexes were synthesized by combining the dithiolene complexes [M(mnt)2]2- (mnt = maleonitriledithiolate; M = Ni2+ or Cu2+) as anion with the copper(II) coordination complex [Cu(Stetra)] (Stetra = 6,6 '- bis(4,5-dihydrothiazol-2-yl)-2,2 '-bipyri-dine) as cation. The variation of metal centers led to a significant change in conductivity, with the Cu2+ variant (Cu-Cu) displaying semiconductor behavior, while the Ni2+ variant (Ni-Cu) showed no observable conductivity. Computational studies revealed that Cu-Cu exhibited minimized reorganization energy losses and a lower barrier to the charge transfer process, resulting in higher conductivity.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Chemistry, Physical
Philip J. Mousley, Luke A. Rochford, Paul T. P. Ryan, Philip Blowey, James Lawrence, David A. Duncan, Hadeel Hussain, Billal Sohail, Tien-Lin Lee, Gavin R. Bell, Giovanni Costantini, Reinhard J. Maurer, Christopher Nicklin, D. Phil Woodruff
Summary: Surface X-ray diffraction provides unambiguous structural information when studying the phenomenon of metal substrate adatom incorporation into molecular overlayers. Experimental evidence from scanning tunneling microscopy can be ambiguous and lacks quantitative information. The structural study of the Au(111)-F4TCNQ system shows agreement between experimental and theoretical data, providing insight into the height and conformation of the adsorbed molecule.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Inorganic & Nuclear
Patrick R. Nimax, Nils Rotthowe, Florian Zoller, Tobias Blockhaus, Fritz Wagner, Dina Fattakhova, Karlheinz Suenkel
Summary: Compounds of the 5 amino and 5 nitro 1,2,3,4 tetracyanocyclopentadienide ligand with iron(ii) and iron(iii), silver(i) and potassium(i) were synthesized and characterized using electrochemical methods and spectroscopy techniques. The study revealed free radical activity in transition metal compounds and signs of photoinduced electron transfer in compounds of the ligands. X-ray diffraction was used to characterize silver(i) and potassium compounds, with one structure showing a porous coordination polymer.
DALTON TRANSACTIONS
(2021)
Article
Spectroscopy
C. Balraj, S. Balaji, M. Karthikeyan
Summary: A study on the molecular charge-transfer interaction between a series of electron pi-acceptors and selected donors reveals consistent results between experimental and theoretical analyses. The order of complex formation strengths between donors and acceptors is observed, along with the identification of interaction sites on the donor molecules complexed with acceptors.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Spectroscopy
Boleslaw Barszcz, Tetiana N. Starodub, Adam Mizera, Roman Swietlik, Karol Rytel, Viktor O. Iaroshenko, Vladimir A. Starodub
Summary: The (N-Xy-Qn)(TCNQ)(2) anion-radical salt with tetramerized stacks of TCNQ acceptor molecules was successfully synthesized and characterized using vibrational spectroscopy and electrical resistivity measurements. Analysis of the crystal structure data revealed non-uniform charge distribution, with -0.83 e localized on the inner B molecules and -0.33 e on the outer A molecules. The infrared and Raman spectra were dominated by TCNQ vibrational modes and exhibited splitting related to the tetramerized structure. The material exhibited low-conducting behavior with a room temperature conductivity of 2.6 mS cm(-1), and the temperature dependence of resistivity could be explained by the band conduction model. The estimated charge distribution based on crystal data was confirmed by other charge-sensitive modes.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Engineering, Electrical & Electronic
Leon C. Camenzind, Simon Geyer, Andreas Fuhrer, Richard J. Warburton, Dominik M. Zumbuehl, Andreas Kuhlmann
Summary: The greatest challenge in quantum computing is achieving scalability. However, silicon fin field-effect transistors can host spin qubits operating above 4 K, potentially enabling the scaling and development of quantum computing systems.
NATURE ELECTRONICS
(2022)
Article
Chemistry, Multidisciplinary
Qiang Liu, Yu Lu, He Sheng, Chao-Shen Zhang, Xiao-Di Su, Zhi-Xiang Wang, Xiang-Yu Chen
Summary: The sigma-hole effect is utilized to facilitate the photolysis of phosphonium iodide salts, selectively generating fluoromethyl radicals, allowing for mono-, di-, and trifluoromethylation reactions using fluoromethylphosphonium salts.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Pengcheng Ding, Mona Braim, A. L. Hobson, L. A. Rochford, P. T. P. Ryan, D. A. Duncan, T. -L Lee, H. Hussain, G. Costantini, Miao Yu, D. P. Woodruff
Summary: The results show that F(4)TCNQ on Cu(111) forms a two-dimensional metal-organic framework by incorporating Cu adatoms into the molecular overlayer.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Hongzhi Zhou, Cheng Sun, Wei Xin, Yujie Li, Yuzhong Chen, Haiming Zhu
Summary: Coulomb interactions are crucial in low-dimensional semiconductor materials and play a significant role in determining the electronic and optical properties. This study demonstrates the influence of Coulomb interactions on the fate of photogenerated charges in 2D heterostructures using ultrafast spectroscopy. The results reveal the control of electron dynamics by holes and the modulation of interfacial electron transfer by dynamic Coulomb interaction.
Article
Biochemistry & Molecular Biology
Gamal A. E. Mostafa, Ahmed Bakheit, Najla AlMasoud, Haitham AlRabiah
Summary: This study evaluated the reactions of ketotifen fumarate (KT) with DDQ and TCNQ to form CT complexes using experimental and theoretical approaches. Spectrophotometric methods were validated for KT determination and the stability of the CT complexes was assessed. The molar ratio of KT:DDQ and KT:TCNQ was estimated as 1:1, and the complexes were successfully used for the quantitative determination of KT in its dosage form.
Article
Chemistry, Multidisciplinary
Xin Gao, Jian Li, Ran Du, Jingyuan Zhou, Mao-Yong Huang, Rong Liu, Jie Li, Ziqian Xie, Li-Zhu Wu, Zhongfan Liu, Jin Zhang
ADVANCED MATERIALS
(2017)
Article
Acoustics
Kun Zhang, Jinpeng Su, Zengkai Liu, Hongyue Chen, Qiang Zhang, Shaoan Sun
SHOCK AND VIBRATION
(2020)
Review
Acoustics
Shouling Jiang, Kun Zhang, Hui Wang, Donghu Zhong, Jinpeng Su, Zengkai Liu
Summary: This paper presents a method to eliminate the influence of nonlinear friction on the performance of digital hydraulic cylinders. By establishing a mathematical model and employing adaptive friction compensation control, the system performance can be effectively improved.
SHOCK AND VIBRATION
(2021)
Article
Education, Scientific Disciplines
Kun Zhang, Jinpeng Su, Shaoan Sun, Zhixiang Liu, Jinrui Wang, Mingchao Du, Zengkai Liu, Qiang Zhang
Summary: The article introduces a fault diagnosis system for compressor systems based on the PCA-PSO-LSSVM algorithm, which is determined to have high recognition rate and accuracy through comparative analysis.
Article
Chemistry, Analytical
Jiawei Yang, Yudong Liu, Haina Ci, Feng Zhang, Jianbo Yin, Baolu Guan, Hailin Peng, Zhongfan Liu
Summary: The study presents a high-performance photodetector based on a VG/ITO composite structure, where the VG layer is responsible for light absorption and ITO layer serves as the carrier conduction channel, achieving broadband and high response nature of a photodetector.
Article
Automation & Control Systems
Baoping Cai, Zhengda Wang, Hongmin Zhu, Yonghong Liu, Keke Hao, Ziqi Yang, Yi Ren, Qiang Feng, Zengkai Liu
Summary: This paper proposes a multistage fault prognosis methodology that combines stage identification, Bayesian networks, and time series approach to address the issue of inaccurate fault prognosis based on a single model. The method achieves better results by accurately identifying and matching outliers, and using the ARMA model for prognosis.
IEEE TRANSACTIONS ON INDUSTRIAL INFORMATICS
(2022)
Article
Engineering, Marine
Xiaoyan Shao, Yingying Wang, Baoping Cai, Yonghong Liu, Weifeng Ge, Yiliu Liu, Xiangdi Kong, Qiang Feng, Yiqi Liu, Zengkai Liu, Renjie Ji
Summary: The uneven distribution of working pressures in components leads to interactions in system performance degradation. Even the same two components have different degradation processes due to natural degradation or external impact. This paper proposes a multi-stage model-based RUL estimation approach using Bayesian networks, which can effectively evaluate system performance and RUL considering interactions.
Article
Environmental Sciences
Zengkai Liu, Zhonghao Han, Qi Chen, Xuewei Shi, Qiang Ma, Baoping Cai, Yonghong Liu
Summary: Oil spills pose serious threats to the marine ecosystem, particularly when faced with extreme weather conditions. This study presents a novel method using dynamic Bayesian networks (DBNs) to quantify the risk of oil spills in extreme winds. By transforming physical models into DBNs and establishing a vulnerability model based on coastline types and socio-economic resources, the overall DBN for quantifying the dynamic risk of oil spills in extreme winds is obtained. The proposed method is demonstrated in the Laizhou Bay and validated using a three-axiom-based approach to calculate the temporal and spatial dynamics of risk caused by oil spills in potential locations. The study also examines the risk of the Laizhou Bay coast caused by oil spills in annual extreme wind speeds corresponding to different mean recurrence intervals and investigates the effects of the occurrence time of annual extreme winds.
ENVIRONMENTAL POLLUTION
(2023)
Article
Engineering, Marine
Yuandong Wang, Baoping Cai, Yanping Zhang, Jing Liu, Javed Akbar Khan, Yiliu Liu, Rongkang Li, Zhengde Chu, Zengkai Liu, Yonghong Liu
Summary: This paper proposes a condition-based maintenance (CBM) method based on remaining useful life (RUL) prediction, which dynamically sets inspection time and optimizes maintenance cost by considering maintenance preparation time and RUL prediction results.
Article
Computer Science, Artificial Intelligence
Xuelin Liu, Baoping Cai, Xiaobing Yuan, Xiaoyan Shao, Yiliu Liu, Javed Akbar Khan, Hongyan Fan, Yonghong Liu, Zengkai Liu, Guijie Liu
Summary: In this study, a hybrid multi-stage methodology for remaining useful life (RUL) prediction of control systems is proposed. The variant of unscented Kalman filter (UKF) and dynamic Bayesian networks (DBNs) are used for uncertainty analysis, and the real degradation process of control systems is simulated by optimizing the degradation process, leading to improved accuracy and robustness of RUL prediction.
EXPERT SYSTEMS WITH APPLICATIONS
(2023)
Article
Automation & Control Systems
Xiangdi Kong, Baoping Cai, Yonghong Liu, Hongmin Zhu, Chao Yang, Chuntan Gao, Yiqi Liu, Zengkai Liu, Renjie Ji
Summary: Faults in closed-loop feedback control systems are difficult to identify. Redundancy improves system reliability but poses new challenges for fault diagnosis in multiple redundant systems. This study proposes a causality-based method using dynamic Bayesian networks for fault diagnosis, which dynamically evaluates system performance and integrates monitoring information to assist diagnosis and location.
IEEE TRANSACTIONS ON SYSTEMS MAN CYBERNETICS-SYSTEMS
(2023)
Article
Engineering, Mechanical
Li-Li Wang, Xing-Tang Zhao, Zeng-Kai Liu, Shao-Hui Guo, Min Wang
Summary: The study used simulation analysis and experiments to investigate the effects of viscosity and rotational speed on the friction coefficient of bearings, finding that higher viscosity lubricating oil and appropriate rotational speeds can improve lubrication performance.
JOURNAL OF THE CHINESE SOCIETY OF MECHANICAL ENGINEERS
(2021)
Review
Chemistry, Physical
Yanglizhi Li, Luzhao Sun, Haiyang Liu, Yuechen Wang, Zhongfan Liu
Article
Computer Science, Information Systems
Kun Zhang, Lingyu Meng, Yuhao Qi, Hongyue Chen, Jinpeng Su, Qiang Zhang, Zengkai Liu, Zhenduo Song
Article
Engineering, Mechanical
Wang Lili, Liu Zengkai, Yuan Guoteng, Wei Yuliang
INTERNATIONAL JOURNAL OF ROTATING MACHINERY
(2020)
