Article
Materials Science, Multidisciplinary
Kenta Sudo, Yuki Yanagi, Takeshi Takahashi, Kim-Khuong Huynh, Katsumi Tanigaki, Kaya Kobayashi, Michi-To Suzuki, Motoi Kimata
Summary: This study reports the influence of strong spin-valley coupling in chiral tellurium on electronic structures and nonreciprocal transport. The observed nonreciprocal magnetoresistance exhibits anomalous suppression in high magnetic fields, contradicting the linearity of nonreciprocal signals to the fields observed in other materials. The study also reveals the essential role of valley degree of freedom in cross-correlation phenomena in chiral materials, in addition to the discussed spin-charge coupling.
Article
Chemistry, Physical
Junjie Yuan, Kangpeng Jin, Zhan Shi, Liangwei Fu, Biao Xu
Summary: This study investigates the effect of Yb doping on the thermoelectric properties of polycrystalline SnSe prepared by solvothermal synthesis. The results show that Yb doping increases the p-type carrier concentration, enhances the power factor, and reduces the lattice thermal conductivity by intensifying phonon scattering.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Inorganic & Nuclear
Si-Han Yang, Xiao-Hui Li, Xiao Huang, Wenlong Liu, Sheng-Ping Guo
Summary: A new sulfide Ti0.85Eu3SiS7 with a chiral space group P6(3) was obtained by a solid-state method. Its structure is composed of TiS6 octahedra and SiS4 tetrahedra, forming a polyanionic framework with cavities for Eu atoms. The mixed valences of Eu and Ti elements in the structure result in a very small band gap, which is different from other analogues and does not exhibit second-harmonic generation activity. The study reports the structural chemistry, various characterizations, and theoretical analysis on the structure-property relationship of Ti0.85Eu3SiS7.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Multidisciplinary Sciences
J. B. Costello, S. D. O'Hara, Q. Wu, D. C. Valovcin, L. N. Pfeiffer, K. W. West, M. S. Sherwin
Summary: The central goal of condensed-matter physics is to understand the emergence of diverse electronic and optical properties of crystalline materials from the wavelike motion of electrons. By experimentally measuring sideband polarizations, Bloch wavefunctions of two types of hole in gallium arsenide are reconstructed and visualized on the surface of a sphere. This method can potentially be used to reconstruct low-energy Bloch wavefunctions in various materials, providing insights into the origin and engineering of electronic and optical properties of condensed matter.
Article
Chemistry, Physical
Zhi-Hao Wang, Xie Zhang, Su-Huai Wei
Summary: This study demonstrates the crystal structure of cuprous halides and emphasizes the importance of accurate treatment of exchange interactions. The research settles the debate about the ground-state structures of cuprous halides and advances the understanding of phase stability and s-d coupling in semiconductors.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Yan Shao, Guofeng Hu, Zihao Liu, Xiaoming Xu, Mengqi Zhang, Cong Ding, Yan Li
Summary: This study systematically investigated the mineralogical characteristics and band structure of natural goethite samples from Zhushan, China. It was found that natural goethite has a narrower band gap and a slightly lifted valence band position compared to synthetic goethite, mainly due to Al doping. The experiments also showed that natural goethite has a higher photo-catalytic degradation efficiency than synthetic goethite.
Article
Chemistry, Multidisciplinary
Shaogang Xu, Changchun He, Yujun Zhao, Xiaobao Yang, Hu Xu
Summary: The octet rule is inadequate for describing electron delocalization in boron systems, leading to the introduction of fractional electron occupancies and a generalized octet rule. This new rule provides a better understanding of complex bonding configurations in boron systems and is validated for alpha-B-12.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Mingxin He, Johnathon P. Gales, Xinhang Shen, Min Jae Kim, David J. Pine
Summary: This study demonstrates that colloidal particles with triangular patches can be fabricated by controlling the viscosity of liquid oil droplets, allowing for precise control of the position, orientation, curvature, shape, and size of the patches. These particles can be functionalized with DNA and theoretically should prefer the eclipsed conformation, but the presence of large triangular patches leads to random aggregates instead of forming clathrate hydrates.
Article
Chemistry, Physical
Yi-De Wang, Ting-Wei Lee, Ying-Chen Lo, Wei-Jiun Hong, Chiaying Chen
Summary: This study demonstrates the photoinduced decomposition of graphitic carbon nitride (CN)-based photocatalysts, showing that poor photostability leads to a decrease in photocatalytic degradation efficiency, while aromatic-rich humic acid can slow down this process.
Article
Optics
Minwoo Jung, Gennady Shvets
Summary: This study demonstrates the generation of ladder-like electronic energy levels in monolayer graphene through an extreme modulation of one-dimensional superlattice potentials, enabling the tuning of optical conductivity and the emergence of polaritonic quasiparticles.
ADVANCED PHOTONICS
(2023)
Article
Physics, Applied
Hiroshi Terada, Shinobu Ohya, Masaaki Tanaka
Summary: We report the unique two-phase anisotropy in the tunnel magnetoresistance (TMR) of a GaMnAs-based magnetic tunnel junction. This finding has significant implications for developing novel functionalities using TMRs with different symmetries in multi-orbital materials.
APPLIED PHYSICS EXPRESS
(2022)
Article
Materials Science, Multidisciplinary
Hai Liu, Zhaolei Wang, Mengxuan Li, Xiuping Zhao, Xinxuan Duan, Shiyuan Wang, Guoying Tan, Yun Kuang, Xiaoming Sun
Summary: By constructing pyrochlore rare-earth ruthenate structures with a series of rare-earth elements (Nd, Sm, Gd, Er, and Yb), the electronic structure of the Ru sites could be tuned, leading to an improved OER performance in acid media by reducing the strong bonding between Ru sites and oxygen intermediates. Among them, Nd2Ru2O7 exhibited the lowest OER onset overpotential and Tafel slope, along with significantly higher intrinsic activity and durability compared to RuO2 catalyst.
SCIENCE CHINA-MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Wataru Ishii, Shohei Katao, Yoshiko Nishikawa, Yasuo Okajima, Atsuya Hatori, Masahiro Ehara, Tsuyoshi Kawai, Takuya Nakashima
Summary: Photoirradiation of a pyridine solution of Ag-29 nanoclusters with red photoluminescence at 680 nm activated intense photoluminescence in the near infrared (NIR) region, with a quantum yield of 33% at 770 nm. The use of Au-doped silver nanoclusters further increased the quantum yield to over 45% at 800 nm. Photoirradiation is believed to alter the charge localization in nanoclusters, leading to the formation of sites emitting near infrared light.
CHEMICAL COMMUNICATIONS
(2021)
Article
Materials Science, Multidisciplinary
Hou -Bo Zhou, Zi-Bing Yu, Feng-xia Hu, Jian-Tao Wang, Fei-Ran Shen, Jia-Zheng Hao, Lun-Hua He, Qing-Zhen Huang, Yi-Hong Gao, Bing-Jie Wang, Zhuo Yin, Zheng-Ying Tian, Jing Wang, Yun-Zhong Chen, Ji-Rong Sun, Tong-Yun Zhao, Bao-Gen Shen
Summary: This study reports the emergence of the Invar effect with excellent mechanical properties by modulating the electronic structure in LaFe11.6-xCoxSi1.4. The site occupancy of Co atoms was determined using neutron and X-ray diffraction, and ab initio calculations were performed to study the electronic band structure. The results show that the incorporation of Co atoms inhibits spontaneous magnetostriction and enhances the Invar effect in the ferromagnetic region of LaFe10.6Co1.0Si1.4.
Article
Optics
Kalyani Swain, S. S. Mahalik, M. Kundu
Summary: Recent studies have shown that under the interaction of high-intensity laser with deuterium nanoclusters, an auxiliary magnetic field can enhance the coupling between the laser field and cluster electrons, leading to a significant increase in the absorbed energy per electron. Simulations on different cluster sizes and magnetic field intensities reveal that increasing cluster size linearly increases total energy absorption, while electrons form a narrow weakly relativistic gyrating beam near the resonance region.
Article
Physics, Multidisciplinary
A. Knie, M. Patanen, A. Hans, I. D. Petrov, J. D. Bozek, A. Ehresmann, Ph. V. Demekhin
PHYSICAL REVIEW LETTERS
(2016)
Article
Chemistry, Physical
Rebecca Boll, Benjamin Erk, Ryan Coffee, Sebastian Trippel, Thomas Kierspel, Cedric Bomme, John D. Bozek, Mitchell Burkett, Sebastian Carron, Ken R. Ferguson, Lutz Foucar, Jochen Kuepper, Tatiana Marchenko, Catalin Miron, Minna Patanen, Timur Osipov, Sebastian Schorb, Marc Simon, Michelle Swiggers, Simone Techert, Kiyoshi Ueda, Christoph Bostedt, Daniel Rolles, Artem Rudenko
STRUCTURAL DYNAMICS-US
(2016)
Article
Optics
A. Mueller, S. Schippers, R. A. Phaneuf, A. M. Covington, A. Aguilar, G. Hinojosa, J. Bozek, M. M. Sant'Anna, A. S. Schlachter, C. Cisneros, B. M. McLaughlin
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
(2017)
Article
Multidisciplinary Sciences
A. Sanchez-Gonzalez, P. Micaelli, C. Olivier, T. R. Barillot, M. Ilchen, A. A. Lutman, A. Marinelli, T. Maxwell, A. Achner, M. Agaker, N. Berrah, C. Bostedt, J. D. Bozek, J. Buck, P. H. Bucksbaum, S. Carron Montero, B. Cooper, J. P. Cryan, M. Dong, R. Feifel, L. J. Frasinski, H. Fukuzawa, A. Galler, G. Hartmann, N. Hartmann, W. Helml, A. S. Johnson, A. Knie, A. O. Lindahl, J. Liu, K. Motomura, M. Mucke, C. O'Grady, J. -E. Rubensson, E. R. Simpson, R. J. Squibb, C. Sathe, K. Ueda, M. Vacher, D. J. Walke, V. Zhaunerchyk, R. N. Coffee, J. P. Marangos
NATURE COMMUNICATIONS
(2017)
Article
Chemistry, Multidisciplinary
Thomas J. A. Wolf, Fabian Holzmeier, Isabella Wagner, Nora Berrah, Christoph Bostedt, John Bozek, Phil Bucksbaum, Ryan Coffee, James Cryan, Joe Farrell, Raimund Feifel, Todd J. Martinez, Brian McFarland, Melanie Mucke, Saikat Nandi, Francesco Tarantelli, Ingo Fischer, Markus Guhr
APPLIED SCIENCES-BASEL
(2017)
Article
Physics, Multidisciplinary
M. C. Hoffmann, I. Grguras, C. Behrens, C. Bostedt, J. Bozek, H. Bromberger, R. Coffee, J. T. Costello, L. F. DiMauro, Y. Ding, G. Doumy, W. Helml, M. Ilchen, R. Kienberger, S. Lee, A. R. Maier, T. Mazza, M. Meyer, M. Messerschmidt, S. Schorb, W. Schweinberger, K. Zhang, A. L. Cavalieri
NEW JOURNAL OF PHYSICS
(2018)
Article
Chemistry, Physical
Ruaridh Forbes, Alberto De Fanis, Cedric Bomme, Daniel Rolles, Stephen T. Pratt, Ivan Powis, Nicholas A. Besley, Saikat Nandi, Aleksandar R. Milosavljevic, Christophe Nicolas, John D. Bozek, Jonathan G. Underwood, David M. P. Holland
JOURNAL OF CHEMICAL PHYSICS
(2018)
Article
Chemistry, Physical
Ruaridh Forbes, Alberto De Fanis, Cedric Bomme, Daniel Rolles, Stephen T. Pratt, Ivan Powis, Nicholas A. Besley, Marc Simon, Saikat Nandi, Aleksandar R. Milosavljevic, Christophe Nicolas, John D. Bozek, Jonathan G. Underwood, David M. P. Holland
JOURNAL OF CHEMICAL PHYSICS
(2018)
Article
Multidisciplinary Sciences
Kanupriya Pande, Jeffrey J. Donatelli, Erik Malmerberg, Lutz Foucar, Billy K. Poon, Markus Sutter, Sabine Botha, Shibom Basu, R. Bruce Doak, Katerina Dorner, Sascha W. Epp, Lars Englert, Raimund Fromme, Elisabeth Hartmann, Robert Hartmann, Guenter Hauser, Johan Hattne, Ahmad Hosseinizadeh, Stephan Kassemeyer, Lukas Lomb, Sebastian F. Carron Montero, Andreas Menzel, Daniel Rolles, Artem Rudenko, Marvin M. Seibert, Raymond George Sierra, Peter Schwander, Abbas Ourmazd, Petra Fromme, Nicholas K. Sauter, Michael Bogan, John Bozek, Christoph Bostedt, Ilme Schlichting, Cheryl A. Kerfeld, Petrus H. Zwart
Article
Biochemistry & Molecular Biology
Jean-Philippe Renault, Lucie Huart, Aleksandar R. Milosavljevic, John D. Bozek, Jerome Palaudoux, Jean-Michel Guigner, Laurent Marichal, Jocelyne Leroy, Frank Wien, Marie-Anne Herve Du Penhoat, Christophe Nicolas
Summary: X-ray photoelectron spectroscopy of BSA in a liquid jet provides insights into the electronic structure and charge transfer mechanisms in biological systems. The spectra show no structural damage to BSA and reveal carbon and nitrogen atoms in different chemical environments. Comparison between solid and solvated BSA shows higher sensitivity of valence bands to solvation effects. The ionization energy of solvated BSA is determined as 5.7 +/- 0.3 eV. Experimental results are compared with theoretical calculations, highlighting the role of water in hole delocalization in proteins.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Optics
E. Kukk, H. Myllynen, K. Nagaya, S. Wada, J. D. Bozek, T. Takanashi, D. You, A. Niozu, K. Kooser, T. Gaumnitz, E. Pelimanni, M. Berholts, S. Granroth, N. Yokono, H. Fukuzawa, C. Miron, K. Ueda
Proceedings Paper
Metallurgy & Metallurgical Engineering
Stanislav Kratky, Miroslav Horacek, Petr Meluzin, Vladimir Kolarik, Milan Matejka, Jindrich Oulehla, Zoran Pesic
METAL 2017: 26TH INTERNATIONAL CONFERENCE ON METALLURGY AND MATERIALS
(2017)
Article
Optics
S. Nandi, C. Nicolas, A. N. Artemyev, N. M. Novikovskiy, C. Miron, J. D. Bozek, Philipp V. Demekhin
Article
Optics
I. Dumitriu, R. C. Bilodeau, T. W. Gorczyca, C. W. Walter, N. D. Gibson, D. Rolles, Z. D. Pesic, A. Aguilar, N. Berrah
Article
Materials Science, Multidisciplinary
Charles Bernando, Rico Mayro P. Tanyag, Curtis Jones, Camila Bacellar, Maximilian Bucher, Ken R. Ferguson, Daniela Rupp, Michael P. Ziemkiewicz, Luis F. Gomez, Adam S. Chatterley, Tais Gorkhover, Maria Muller, John Bozek, Sebastian Carron, Justin Kwok, Samuel L. Butler, Thomas Moller, Christoph Bostedt, Oliver Gessner, Andrey F. Vilesov
Correction
Chemistry, Physical
Chen Luo, Yan Shao, Hua Yu, Hong-zhi Ma, Yu-hao Zhang, Long Gu, Bo Yin, Ming-bo Yang
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Stefano Borocci, Armando Camerlingo, Felice Grandinetti, Maria Rutigliano, Nico Sanna
Summary: The complexes of He, Ne, Ar, Kr, and Xe with B3N3H6 were investigated using MP2, CCSD(T), and SAPT ab initio methods. The complexes can be described as mono-, di-, and tri-coordinated to the N atoms, with stability following the order N-mono < N-di < N-tri. The interactions are dominated by dispersion and the binding energies are within the range of 1 or 2 kcal mol(-1). The results were compared with a recent DFT study on larger BN sheets complexes [Phys. Chem. Chem. Phys. 24 (2022) 2554-2566.].
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
V. Nagarajan, R. Bhuvaneswari, R. Chandiramouli
Summary: In this study, stable phosphoborane was used as a sensor to detect isobutane and n-propane in Liquefied Petroleum Gas (LPG). Phosphoborane demonstrated structural stability and semiconducting nature, and exhibited promising adsorption properties for the LPG molecules.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xiaoxi Xu, Zijiang Yang, Bayaer Buren, Maodu Chen
Summary: In this study, the time-dependent wave packet method was used to investigate the reaction channels and mechanisms of Ca+ + HD. The results show that the CaH+ + D reaction channel plays a primary role, which is consistent with experimental results. Complex forming and direct-abstraction reaction mechanisms exist in this reaction process.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Keshab Pandey, Hae Kyung Jeong
Summary: A free-standing silicon-carbon nanofiber composite film was synthesized and investigated for supercapacitor applications. It exhibited high specific capacitance, energy density, and power density. After 5000 cycles, the film showed excellent specific capacitance retention and Coulombic efficiency.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xinyu Zhang, Haosong Li, Xiaoyu Cao, Jing Gao, Yong Wei, Jianzhuo Zhu
Summary: The evaporation behavior of nanosized water aggregations on two-dimensional electroneutral solid surfaces with different surface polar unit densities was investigated. The results showed that the evaporation rate changes non-monotonically with the surface polar unit density, and the minimum evaporation rate is obtained when the surface has a modest surface polar unit ratio of 66.7%.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Yanyan Xu, Rui Dai, Xiaojie Wang, Zhijun Qiao, Haowei Wen, Dianbo Ruan, Yuzuo Wang
Summary: This article presents an innovative solvothermal sodium insertion method for synthesizing Triphylite-NaFePO4, which demonstrates optimal electrochemical performance in sodium-ion batteries.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Meiyi Jiang, Kun Yang, Yancheng Liu, Li Yao
Summary: The geometric structure and electronic properties of transition metal M (M = Cu, Fe, Mn)-TiO2 (101) surface adsorbed by NO2 and N2O were calculated by density functional theory (DFT) and DFT + U theory. The results showed that the adsorption of NO2 and N2O on Mn and Fe atoms is more stable, and a large number of active electrons are formed around these atoms, facilitating the catalytic reactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Sergey A. Vyrko, Yulia G. Polynskaya, Nikita A. Matsokin, Andrey M. Popov, Andrey A. Knizhnik, Nikolai A. Poklonski, Yurii E. Lozovik
Summary: In this study, carbon nanobracelets, which are cyclic molecules composed of alternating polycyclic regions and double carbon chains, were investigated using spin-polarized density functional theory. The results show that carbon nanobracelets with odd number of monomers exhibit distinct electronic energy levels, band gaps, and carbon chain deformation compared to those with even number of monomers.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Chanchan Wang, Quan Yang, Yanzhi Ding, Xiaoyong Lu, Dong Tian
Summary: It has been found that the introduction of buffer layers improves the electrical performance of solid oxide fuel cells (SSOFCs). In this study, varying ratios of Gd-doped CeO2 were used as buffer layers in YSZ-based SSOFCs. The results demonstrate that the performance of SSOFCs is enhanced when a buffer layer is added, with the highest performance achieved using Ce0.8Gd0.2O2-delta (GDC20) as the buffer layer. This suggests that the use of GDC series buffer layers is an attractive strategy to optimize performance loss due to electrolyte-electrode interactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Wang Li, Yi-Fan Zhang, Jia-Bin Huang, Chang-Yang Wang, Feng Zhang, Jiu-Zhong Yang, Long Zhao
Summary: The gas-phase reaction of propargyl with vinylacetylene was investigated using synchrotron photoionization and molecular-beam mass spectrometry methodologies. The formation mechanisms of the resulting cyclic structures were examined using quantum computations. Two previously unidentified isomers were detected and identified for the first time.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Avijit Pramanik, Sanchita Kundu, Olorunsola Praise Kolawole, Kaelin Gates, Paresh Chandra Ray
Summary: This study investigates the influence of aspect ratio and quantum confinement on the single-photon and two-photon absorption cross-section of perovskite CsPbI3 nanorods. Experimental data shows that CsPbI3 nanorods have an extremely high two-photon absorption cross-section, significantly surpassing organic chromophores and other CsPbBr3 nanocrystals. Moreover, adjusting the aspect ratio can significantly enhance the absorption ability. Additionally, the study also reveals a moderate quantum confinement effect on the single-photon and two-photon absorption cross-section of the nanorods.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Hyon-Tae Pak, Jin-A Choe, Kyong-Sik Ju, Yong -Son Rim
Summary: Drug-loaded cellulose diacetate (CDA) membranes were prepared using different compositions of mixed solvent. The microstructure and performance of the membranes were investigated, and a method to predict drug release properties was proposed. The results showed that the composition of the mixed solvent significantly affected the overall performance of CDA membranes, and the release rates of drugs were related to Δdelta and the intrinsic viscosity of CDA.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Gabriella E. Ravin, E. Curotto
Summary: We have developed a systematic approach to optimize the training set sizes for neural networks in fitting ab initio potential energy surfaces. Using this approach, we have constructed several spectroscopic quality potential energy surfaces for [Li(H2)n]+, n = 1 - 9. The ground state properties have been computed for all the systems and selected states.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Guohua Xu, Lei Xu, Feng Zhang, Chunling Yu, Yu Song
Summary: NiS1.03@Ni7S6/carbon composite was successfully prepared using corn stalk as a carbon source via a simple adsorption-sulphurization process. The composite exhibited a specific capacitance of 1554.6 F/g at 1 A/g as a supercapacitor electrode, with a capacitance retention rate of 80.4% after 5000 cycles. Furthermore, the NiS1.03@Ni7S6/carbon//AC asymmetric supercapacitor showed a high energy density of 41.2 Wh kg-1 at a power density of 750 W kg-1, and excellent cycling stability with 86.8% capacitance retention after 10,000 cycles.
CHEMICAL PHYSICS LETTERS
(2024)
