Article
Chemistry, Multidisciplinary
Seif Alwan, Yonatan Dubi
Summary: This study presents a theory for the CISS effect based on the interplay between spin-orbit interactions in the electrode, the chirality of the molecule, and spin-transfer torque at the molecule-electrode interface. The theory can qualitatively account for key experimental observations and provides a set of predictions that can be readily tested experimentally.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Optics
Leipeng Li, Zhuqin Wu, Chunzheng Wang, Xiumei Han, Lukasz Marciniak, Yanmin Yang
Summary: A novel optical temperature measurement method called persistent luminescence intensity ratio (PLIR) thermometry is proposed. The method relies on the persistent luminescence of a specific material to accurately measure temperature variations. This study has significant implications for the development of optical temperature sensing technology.
Article
Materials Science, Multidisciplinary
W. M. Piotrowski, M. Kardach, P. Sobierajska, A. Watras, J. M. Reeks, V. Kinzhybalo, L. Marciniak, R. J. Wiglusz
Summary: By increasing the molar ratio of (AsO4)3- to (VO4)3- in the host material, the usable temperature range of a luminescent thermometer based on Eu3+ ion emission can be expanded and its thermal performance can be optimized. This strategy is a step towards designing thermometers with adjustable thermometric performance.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Inorganic & Nuclear
Lei Zhong, Sha Jiang, Xihui Wang, Yutong Wang, Jialiang Xie, Yanru Li, Binyao Huang, Yongjie Wang, Guotao Xiang, Li Li, Xianju Zhou, Min Yin
Summary: A novel ratiometric luminescence thermometry strategy was proposed in this study, combining the thermally induced redshift of the charge transfer band with the dramatic quenching of the intervalent charge transition in Dy3+ and Pr3+ doped MNO phosphors. The emission color of the sample changes significantly with temperature, allowing for visual temperature sensing. The Dy3+ and Pr3+ activated MNO phosphors show excellent sensitivity, signal resolution, reversibility, and temperature resolution, making them promising for luminescence thermometry and safety markers.
INORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Physical
Buzuayehu Abebe, Guta Amenu, Dereje Tsegaye Leku
Summary: The porous silver-zinc oxide nanocomposites (Ag-ZnO NCs) were successfully synthesized using the solution combustion synthesis approach, where pore generation and silver metal reduction occurred during the combustion process. The synthesized NPs and NCs were confirmed to be porous by low-resolution SEM and TEM images. XRD and TEM/HRTEM/SAED analysis confirmed the nanoscale crystallite size, crystallinity, and heterojunction of Ag-ZnO NCs. DRS-UV-vis analysis indicated no bandgap change between ZnO and NCs, suggesting the absence of Ag in the ZnO lattice. Photoluminescence spectrum showed lower intensity in doped NCs compared to pure ZnO NPs, indicating charge transfer and prevention of electron-hole recombination within Ag-ZnO NCs. Mott-Schottky analysis confirmed the n- and p-type characters of NCs, unlike the solely n-type characters of ZnO NPs. Therefore, solution combustion synthesis is a novel method for producing pure and improved electrical properties catalysts, beneficial in various applications such as catalysis and sensor.
SURFACES AND INTERFACES
(2023)
Article
Engineering, Electrical & Electronic
Sahand Seifi, Peter Werle, Amir Abbas Shayegani Akmal, Hossein Mohseni, Hossein Borsi
Summary: Electrical PD measurement is a powerful tool for assessing the insulating system of power transformers, but establishing a proper threshold value for PD acceptance test is challenging due to the significant dependency of apparent charges on the location of PDs.
INTERNATIONAL JOURNAL OF ELECTRICAL POWER & ENERGY SYSTEMS
(2021)
Article
Chemistry, Physical
Yanan Wang, Jing Jin, Hao Ma, Meng Zhang, Qianwen Li, He Wang, Bing Zhao, Weidong Ruan, Guan Yan
Summary: This study investigates the importance of enhancing charge transfer in the AZO/MPy/Ag sandwich structure, and identifies a significant CT route from the CB of AZO to the LUMO of the MPy molecule, which can effectively improve the degree of CT. This discovery is expected to play a crucial role in enhancing SERS.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Siyi Luo, Zhen Xu, Fei Zhong, Hui Li, Lidong Chen
Summary: This review article revisits the fundamental principles and characterization methods of charge transfer mechanisms in molecular doping of organic semiconductors. It highlights the key points for the formation of integer charge transfer (ICT) and charge transfer complex (CTC) from both molecular structure and process engineering aspects. The strategies to improve the proportion of ICT are discussed, and the challenges and perspectives for future developments in molecular doping of polymer semiconductors are provided.
CHINESE CHEMICAL LETTERS
(2024)
Article
Chemistry, Applied
Qingfeng Zhai, Zhenhai Xia, Liming Dai
Summary: This review article discusses the recent advances in carbon-based metal-free electrocatalysts (C-MFECs) and how various strategies, such as heteroatom doping, defect doping, and molecular modification, can induce catalytic active sites to create efficient and multifunctional electrocatalysts. Theoretical research has shown that the catalytic activity in C-MFECs originates from the charge/spin redistributions induced by the change in electronic structures of doped carbon materials. The progress in the unified mechanistic understanding and the challenges and future perspectives in this field are also presented.
Article
Materials Science, Multidisciplinary
Yuseong Kim, Byoungnam Park
Summary: In this study, the coupling of photo-induced energy band bending with localized surface plasmonic resonance (LSPR)-induced charge separation at the TiO2/Ag nano-particle (NP) interface was demonstrated for the first time using Kelvin Probe Force Microscopy. The findings provide insights into the design of surface-gas molecule pairing for creating and optimizing LSPR-induced gas sensing devices.
Article
Physics, Multidisciplinary
Antonios M. Alvertis, Jonah B. Haber, Edgar A. Engel, Sahar Sharifzadeh, Jeffrey B. Neaton
Summary: In this study, a first-principles investigation was conducted on solid pentacene using density functional theory, the ab initio GW-Bethe-Salpeter equation approach, finite-difference, and path integral techniques. The research captured the formation of bound excitons, exciton-phonon coupling to all orders, and phonon anharmonicity. It was found that the zero-point nuclear motion of pentacene leads to uniformly strong localization, with additional localization provided by thermal motion only for Wannier-Mott-like excitons. Anharmonic effects drive temperature-dependent localization, and conditions under which highly delocalized excitons might emerge were explored.
PHYSICAL REVIEW LETTERS
(2023)
Article
Materials Science, Ceramics
Yongbin Hua, Jung-Uk Kim, Jae Su Yu
Summary: Under different excitations, La3NbO7:Sm3+ phosphors exhibit various luminescent behaviors with excellent thermal performance. The emission intensity is temperature-dependent, showing high sensitivity to temperature changes.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2021)
Article
Chemistry, Physical
Yuzhong Chen, Cheng Sun, Hongzhi Zhou, Jialin Li, Wei Xin, Haiyang Xu, Haiming Zhu
Summary: The study demonstrates the construction of a graphene/WS2/MoS2 vertical heterostructure that efficiently transfers hot electrons in graphene and significantly prolongs the photocarrier lifetime. By spatial separation and energy barrier, the control of photocarrier lifetime in graphene is achieved, leading to enhanced photocurrent generation and photoresponsivity.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Physical
Ilya. E. E. Kolesnikov, Daria. V. V. Mamonova, Mikhail. A. A. Kurochkin, Vassily. A. A. Medvedev, Evgenii Yu. Kolesnikov
Summary: In recent years, much attention has been given to the development of novel luminescence thermometry approaches for contactless and noninvasive temperature sensing. This study successfully utilized a Eu3+-doped LaVO4 sample as a thermal sensor, achieving good thermometric performance in terms of thermal sensitivity and temperature resolution within a wide temperature range.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Physics, Multidisciplinary
Rebecca Boll, Julia M. Schaefer, Benoit Richard, Kilian Fehre, Gregor Kastirke, Zoltan Jurek, Markus S. Schoeffler, Malik M. Abdullah, Nils Anders, Thomas M. Baumann, Sebastian Eckart, Benjamin Erk, Alberto De Fanis, Reinhard Doerner, Sven Grundmann, Patrik Grychtol, Alexander Hartung, Max Hofmann, Markus Ilchen, Ludger Inhester, Christian Janke, Rui Jin, Max Kircher, Katharina Kubicek, Maksim Kunitski, Xiang Li, Tommaso Mazza, Severin Meister, Niklas Melzer, Jacobo Montano, Valerija Music, Giammarco Nalin, Yevheniy Ovcharenko, Christopher Passow, Andreas Pier, Nils Rennhack, Jonas Rist, Daniel E. Rivas, Daniel Rolles, Ilme Schlichting, Lothar Ph H. Schmidt, Philipp Schmidt, Juliane Siebert, Nico Strenger, Daniel Trabert, Florian Trinter, Isabel Vela-Perez, Rene Wagner, Peter Walter, Miriam Weller, Pawel Ziolkowski, Sang-Kil Son, Artem Rudenko, Michael Meyer, Robin Santra, Till Jahnke
Summary: Intense femtosecond X-ray pulses can visualize the structural dynamics of exploding photoionized molecules, providing important insights into chemical reactions.
Article
Chemistry, Inorganic & Nuclear
Yunlin Yang, Bibo Lou, Yiyi Ou, Fang Su, Chong-Geng Ma, Chang-Kui Duan, Pieter Dorenbos, Hongbin Liang
Summary: Ce3+-doped LiSr4(BO3)3 phosphors were synthesized using a high-temperature solid-state reaction method, and their structure and luminescence properties were investigated. The results showed that Ce3+ ions preferentially occupied the Sr2+ sites in LiSr4(BO3)3, and concentration quenching did not occur. Thermal ionization was found to be the dominant mechanism for thermal quenching of Ce3+ luminescence.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Qiaoling Chen, Longbing Shang, Chong-Geng Ma, Chang-Kui Duan
Summary: First-principles calculations based on density functional theory were used to study the electronic structure, excited-state Jahn-Teller distortion, and photoluminescence of tetrahedral coordinated Mn2+ in solids. The results showed that the emission energy and color can be affected by the nephelauxetic effect and crystal field strength. The Jahn-Teller distortion of the excited states was found to be dominated by the angular distortion of the [MnL4] moiety.
INORGANIC CHEMISTRY
(2022)
Article
Materials Science, Multidisciplinary
Longbing Shang, Qiaoling Chen, Weiguo Jing, Chong-Geng Ma, Chang-Kui Duan, Jiangfeng Du
Summary: Defect centers in solid-state materials have been widely studied for their potential applications in quantum information science. In this work, the feasibility of using tetrahedral d(2) and octahedral d(3) transition metal ions as spin qubits is analyzed using density functional theory. The results show that some of these systems meet the requirements for forming the desired electronic structures and spin-selective transitions.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Physics, Multidisciplinary
Peiran Yin, Rui Li, Chengjiang Yin, Xiangyu Xu, Xiang Bian, Han Xie, Chang-Kui Duan, Pu Huang, Jian-hua He, Jiangfeng Du
Summary: In this study, the chameleon theory as a candidate explanation for dark energy is ruled out by experimental tests, providing decisive conclusions and demonstrating the reliability of laboratory experiments for uncovering the nature of dark energy in the future.
Article
Physics, Multidisciplinary
Yue Fu, Wenquan Liu, Xiangyu Ye, Ya Wang, Chengjie Zhang, Chang-Kui Duan, Xing Rong, Jiangfeng Du
Summary: This experimental investigation demonstrates the existence of quantum correlations in a two-qutrit spin system at room temperature using a single nitrogen-vacancy center in diamond. The study reveals the presence of quantum entanglement and nonclassical correlations beyond entanglement in the qutrit case. These findings highlight the potential of NV centers as a multiqutrit system for quantum information tasks and offer a powerful experimental platform for studying high-dimensional quantum systems in the future.
PHYSICAL REVIEW LETTERS
(2022)
Article
Physics, Applied
Jiliang Yang, Jian Wang, Wenda Fan, Yangbo Zhang, Changkui Duan, Guangchong Hu, Gabriele G. de Boo, Brett C. Johnson, Jeffrey C. McCallum, Sven Rogge, Chunming Yin, Jiangfeng Du
Summary: Single rare-earth ions in solids have great potential for quantum applications, but their linewidths are often broadened due to perturbations associated with the detection methods. By studying the spectral broadening of a single Er3+ ion in a Si nanotransistor, we found that charge fluctuations are likely to be the dominant broadening source.
PHYSICAL REVIEW APPLIED
(2022)
Article
Chemistry, Inorganic & Nuclear
Qiaoling Chen, Mingzhe Liu, Longbing Shang, Chang-Kui Duan
Summary: This study investigates the multisite and multivalence nature of Mn ions in solids and predicts their optical transition properties using garnets as prototype systems. The results show that the preference of Mn ions for different sites and their valence state can vary in different environments, and the calculated energy-level structures and photoluminescence match the experimental data.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Longbing Shang, Mingzhe Liu, Chang-Kui Duan
Summary: By choosing hosts with appropriate sites, the Cr3+ activators can produce desired near-infrared broadband emission via ligand field engineering. First-principles calculations help to analyze the site, valence, and luminescent mechanism of the activators. It is found that the experimentally reported near-infrared emission is actually produced by Cr3+ at the octahedral site.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Physics, Applied
Zhi Cheng, Xiangyu Ye, Jiandong Wu, Pei Yu, Cheng-Jie Wang, Mengqi Wang, Changkui Duan, Ya Wang, Fazhan Shi, Changlin Tian, Hongwei Chen, Pengfei Wang, Jiangfen Du
Summary: Nanoscale sensing and imaging of electromagnetic field can be achieved by utilizing the forbidden magnetic dipole transition of a single shallow nitrogen-vacancy center in diamond. The detection of rf electric fields at frequencies ranging from 13.85 MHz to 2.02 GHz is successfully demonstrated, with a sensitivity of 265 V cm-1 Hz-1/2 for amplitude measurement and a standard deviation of 0.2 degrees for phase measurement. The potential applications of such nanoscale sensor in science and technology are discussed.
PHYSICAL REVIEW APPLIED
(2023)
Article
Chemistry, Physical
Mingzhe Liu, Hei-Yui Kai, Anjun Huang, Chang-Kui Duan, Ka-Leung Wong, Peter A. Tanner
Summary: First-principles calculations were conducted to investigate the doping of bismuth and iron in the lattices of BaAl12O19 (BAO) and CaAl12O19 (CAO). Experimental data for the optical spectra of CAO were provided to support the calculation results. The presence of trace impurities in undoped CAO samples, such as Mn4+, was observed to contribute to luminescence bands. The emission wavelengths of around 810 nm in CAO were found to be associated with Fe3+ and Bi3+ dopants.
CHEMISTRY OF MATERIALS
(2023)
Article
Optics
Jun Wen, Jing Gao, Guisheng Jiang, Xiaoxiao Huang, Qiang Wang, Chenlong Wei, Lixin Ning, Chang-Kui Duan
Summary: Theoretical studies were conducted to investigate the thermodynamic stabilities and luminescent properties of defects and lanthanide ions in BaZrSi3O9, aiming to gain a better understanding of the luminescence mechanisms in undoped and lanthanide-doped BaZrSi3O9.
JOURNAL OF LUMINESCENCE
(2023)
Article
Chemistry, Physical
Mingzhe Liu, Chang-Kui Duan, Ruijie Hao, Min Yin
Summary: A variety of halide perovskites doped with ns2 ions have been studied. First-principles calculations were performed on Cs2SnCl6 and Cs2HfCl6 to explore self-trapped excitons, defects, and luminescent centers. The results provide a consistent understanding of the experimental phenomena and reveal differences between Cs2SnCl6 and Cs2(Hf/Zr)Cl6, which can benefit the design and optimization of metal halide perovskites.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Physics, Multidisciplinary
Han Xie, Yanan Li, Rui Li, Yinchun Leng, Yiming Chen, Lei Wang, Dingjiang Long, Xiang Bian, Chang-Kui Duan, Peiran Yin, Pu Huang, Jiangfeng Du
Summary: By utilizing an engineering conductive geometry scheme, we effectively reduce the mechanical dissipation of a diamagnetically levitated oscillator made of pyrolytic graphite, improving its levitation capability. Through experimental demonstration, we show that the specially designed conductive geometry significantly reduces eddy current damping, with a higher reduction factor for denser engraving patterns. Under high vacuum and room temperature conditions, we reduce eddy current damping by a factor of 50. This work presents a new approach to achieve ultralow mechanical dissipation and strong levitation capability in diamagnetically levitated oscillators, providing a candidate platform for studying a broad range of fundamental physics.
PHYSICAL REVIEW RESEARCH
(2023)
Article
Materials Science, Multidisciplinary
Haoming Xu, Weiguo Jing, Mingzhe Liu, Min Yin, Chang-Kui Duan
Summary: The abnormal self-reduction of trivalent lanthanides in borates, particularly in SrB4O7, has been reported for many years, but only an explanatory description has been provided. Through calculations of formation energies in SrB4O7, we offer an explanation for the mechanisms behind the self-reduction phenomenon. Additionally, we present the trends of the binding energies of divalent lanthanides, which align well with and support the results obtained by extrapolating experimental data using the semiempirical chemical shift model. Our findings demonstrate that calculations conducted using the supercell method and projector augmented wave pseudopotentials can effectively interpret reduction and charge-transfer phenomena, and serve as a basis for the design of lanthanide-doped optical materials.
Article
Materials Science, Multidisciplinary
Zhaoyang Feng, Chang-Kui Duan
Summary: In this study, first-principles calculations were used to investigate the luminescence properties of four different ternary oxide materials, namely (Sr/Ca)Sb2O6, (Sr/Ca)2Sb2O7, (Sr/Ca)SnO3, and (Sr/Ca)Ga2O4, doped with bismuth ions. The effects of bismuth doping on the materials' luminescence properties were analyzed by studying intrinsic defects and self-trapped holes. The transitions associated with bismuth ions in different materials were also identified. The insights gained from this study are important for understanding the luminescence mechanisms of insulating bismuth-doped ternary oxides.
