Article
Chemistry, Multidisciplinary
Denis S. Baranov, Sergio Vlaic, Jonathan Baptista, Enrico Cofler, Vasily S. Stolyarov, Dimitri Roditchev, Stephane Pons
Summary: Atomically thin superconductivity in Pb monolayers grown on Si(111) is affected by the addition of a small amount of Au atoms, which decorate the atomic step edges of Pb/Si(111) and link the electronic reservoirs of neighboring atomic terraces. This enhances the propagation of superconducting correlations across edges, facilitating coherence between terraces and promoting macroscopic superconductivity at higher temperatures.
Article
Materials Science, Multidisciplinary
Anastasia Railean, Massine Kelai, Amandine Bellec, Vincent Repain, Marie-Laure Boillot, Talal Mallah, Laurentiu Stoleriu, Cristian Enachescu
Summary: In this paper, the electronic and mechanical behavior of a single layer of spin crossover molecules self-organized on a substrate is discussed within a mechanoelastic model framework. The main experimental results are reproduced, and it is shown that a simple model with fixed neighbors on the substrate can lead to unphysical situations. To improve the model, every spin crossover molecule is allowed to change its adsorption site on the substrate at any moment. Different densities of sites on the substrate are used to simulate further experimental observations.
Article
Chemistry, Physical
Bin Chen, You-Ren Huang, Kai-Yue Song, Xiang-Ling Lin, Hao-Hong Li, Zhi-Rong Chen
Summary: The study introduces a new type of nonvolatile memory device that can operate stably in high-temperature environments and monitor the working temperature through color changes. Even at high temperatures, the framework remains intact, leading to better cycling stability.
CHEMISTRY OF MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Karel Carva, Petru Vlaic, Jan Honolka
Summary: This study investigates the electronic structure changes of FeSe on a Si(001) surface using first-principles calculations. The results reveal the effects of Si proximity on the FeSe band structure, with bands being pushed below the Fermi level and electron pockets becoming less dispersive. The changes in the FeSe band structure are explained by electron redistribution between different Fe 3d orbitals.
Article
Physics, Applied
Yan Li, Yanzhao Wu, Li Deng, Xiang Yin, Xiaoli Han, Fubo Tian, Xianmin Zhang
Summary: In this paper, monolayer Cr2S3 is proven to be a ferromagnetic (FM) semiconductor with a perpendicular magnetic anisotropy energy. It also exhibits spontaneous valley polarization and can switch between ferromagnetic and antiferromagnetic states under strain. The valley polarization reversion can be achieved by an external electric field. This research provides a promising candidate for manipulating valley and spin physics.
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Mathematics, Applied
Emese Lantos, Agota Toth, Dezso Horvath
Summary: By building a specific autocatalytic reaction network, bistability and sustained pH oscillations in an open system can be observed, which helps to understand the self-regulation mechanisms in biological systems.
Article
Chemistry, Physical
Fanchen Song, Xinzhi Zu, Zeyu Zhang, Tingyuan Jia, Chunwei Wang, Sihao Huang, Zhengzheng Liu, Hongwen Xuan, Juan Du
Summary: This study investigates the photocurrent dynamics in monolayer WSe2 and discovers an interface-induced drift current amplification in the WSe2/Si heterostructure using ultrafast terahertz emission spectroscopy. The amplification of terahertz emission comes from the photocurrent enlarged by band bending in the WSe2 and Si junction, and the amplification ratio increases further near the valley resonant transition of WSe2. Additionally, the valley-momentum locked photocurrent in the WSe2/Si heterostructure retains the same chirality with monolayer WSe2 at room temperature.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Materials Science, Multidisciplinary
Xun Zhang, Yuli Zhou, Gu Zhong, Junchao Zhang, Yunan Chen, Wanqi Jie, Peter Schumacher, Jiehua Li
Summary: This study investigated the effects of Si and Sr on the solidification microstructure and thermal conductivity of Al-Si binary alloys and Al-9Si-Sr ternary alloys, and found a relationship between them. It was observed that the increase in Si content affects the alpha-Al grain size and the percentage of eutectic Si, resulting in a significant impact on thermal and electrical conductivity. On the other hand, the presence of Sr has no significant effect on alpha-Al grain but effectively modifies eutectic Si and significantly improves the thermal and electrical conductivity. Two theoretical calculation models were used to elucidate the relationship between solidification microstructure and thermal conductivity, with the Hashin-Shtrikman (H-S) model showing better fit with the measured values.
JOURNAL OF MATERIALS SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Jose H. Garcia, Jinxuan You, Monica Garcia-Mota, Peter Koval, Pablo Ordejon, Ramon Cuadrado, Matthieu J. Verstraete, Zeila Zanolli, Stephan Roche
Summary: We have demonstrated the possibility of coherent electrical manipulation of spin orientation in a low-symmetry quantum spin Hall insulator. The spin textures of edge currents can be efficiently varied by small electric fields without affecting their topological character. These findings are important for the development of gate-controllable spin-based devices with topological protection.
Article
Chemistry, Physical
Qing Zhou, Meinan Yan, Yuzhou Sun, Yujiao Ma, Zihan Zhang, Haoyu Xu, Xiaoyun Teng, Chao Gao, Wei Yu
Summary: This paper reports a novel precursor solution for the preparation of large-grain monolayer CZTSSe film. The influence of selenization temperature on the properties of CZTSSe films and solar cells were investigated. It was found that lower selenization temperature resulted in better film performance, but higher selenization temperature led to material decomposition and decreased open-circuit voltage.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Physics, Multidisciplinary
Guang Yang, Jun-Shuai Chai, Li-Fang Xu, Jian-Tao Wang
Summary: This study identifies a new reconstruction of a La-induced Si-3 trimer monolayer on the Si(111) surface, showing a semiconducting character with an indirect surface band gap of 0.76 eV. The findings also confirm a two-stage conversion process between the Si-3 trimer and SC structure.
NEW JOURNAL OF PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Ting-Yun Wang, Chi-Lin Mo, Chun-Yi Chou, Chun-Ho Chuang, Miin-Jang Chen
Summary: In this paper, the concept and method of monolayer engineering by atomic layer deposition (ALD) were proposed and implemented to improve the crystallinity and ferroelectricity of Hf0.5Zr0.5O2 (HZO) thin films. By substituting one ZrO2 for one HfO2 atomic layer, a high ferroelectric remnant polarization (P-r) of 15 mu C/cm(2) was achieved in the HZO thin film with a thickness of only 4 nm at a low annealing temperature of 370 degrees C. This study demonstrates that monolayer engineering by ALD enables atomic tailoring to enhance the material and physical properties of nanoscale thin films.
Article
Physics, Applied
Lei Dong, Jianqun Yang, Xiaodong Xu, Xiaoqing Yue, Shangli Dong, Gang Lv, Xingji Li
Summary: This study investigates the impact of F- ion irradiation on the properties of ML-MoS2 and reveals that ion irradiation-induced defects significantly affect the optoelectronic properties of MoS2. The study also observes p-doping in ML-MoS2, which is attributed to the introduction of F- ions and the electron transfer from MoS2 to O-2 at defect adsorption sites.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Engineering, Electrical & Electronic
A. Al-Khafaji, N. Soylu-Koc, S. P. Altintas, M. Dogruer, C. Altug, M. Gokcen, A. Varilci
Summary: We conducted an in-depth study on the growth, structural properties, and frequency-dependent dielectric function of ZnO nanorods. The results showed that the nanorods have a hexagonal wurtzile structure and exhibit frequency-dependent dielectric properties.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2022)
Article
Materials Science, Multidisciplinary
Hangyu Li, Xianhui Wang, Jituo Liu, Hang Zhang, Yuan Fei
Summary: The electric load characteristics have an impact on the arc-erosion behavior of Ag base electrical contact material, with more severe erosion under inductive load compared to resistive load. The erosion mechanism and material stability are related to the oxidation of Ti and Ni, leading to increased mass loss.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2021)
Article
Chemistry, Physical
Meetu Bharti, Ajay Singh, Bhanu Pratap Singh, Sanjay R. Dhakate, Gajender Saini, Shovit Bhattacharya, A. K. Debnath, K. P. Muthe, D. K. Aswal
JOURNAL OF POWER SOURCES
(2020)
Article
Chemistry, Physical
Sajid Ahmad, Ajay Singh, Shovit Bhattacharya, M. Navaneethan, Ranita Basu, Ranu Bhatt, Pritam Sarkar, K. N. Meshram, A. K. Debnath, K. P. Muthe, D. K. Aswal
ACS APPLIED ENERGY MATERIALS
(2020)
Article
Instruments & Instrumentation
S. Rab, S. Yadav, N. Garg, S. Rajput, D. K. Aswal
MAPAN-JOURNAL OF METROLOGY SOCIETY OF INDIA
(2020)
Article
Instruments & Instrumentation
S. Saha, V. K. Jaiswal, P. Sharma, D. K. Aswal
MAPAN-JOURNAL OF METROLOGY SOCIETY OF INDIA
(2020)
Article
Chemistry, Analytical
Sanjeev Kumar, Anshul Kumar Sharma, Manreet Kaur Sohal, Davinder Pal Sharma, A. K. Debnath, D. K. Aswal, Aman Mahajan
Summary: By anchoring F16CuPc molecules onto rGO sheets, a room-temperature chemiresistive sensor capable of efficiently detecting chlorine gas has been developed, with a significant improvement in gas sensing characteristics confirmed through electrochemical impedance spectroscopy.
SENSORS AND ACTUATORS B-CHEMICAL
(2021)
Article
Chemistry, Analytical
Manreet Kaur Sohal, Aman Mahajan, Sahil Gasso, R. K. Bedi, Ravi Chand Singh, A. K. Debnath, D. K. Aswal
Summary: In this study, yttrium-incorporated tin oxide thin film gas sensors were developed for sub-ppb level detection of NO2 at room temperature, showing high sensing response, selectivity, and stability, while being insensitive to humidity.
SENSORS AND ACTUATORS B-CHEMICAL
(2021)
Review
Physics, Applied
Rajesh, Zhaoli Gao, A. T. Charlie Johnson, Nidhi Puri, Ashok Mulchandani, D. K. Aswal
Summary: Chemical species adsorbed on the surface of graphene can alter the concentration of charge carriers, affecting the material's electronic properties and enabling graphene-based sensors to detect a wide range of biomolecules, chemicals, and gas/vapors. Chemical vapor deposition grown graphene has been proven to be the most prominent route to large-scale device production. However, a comprehensive review on scalable, macro-sized, chemical vapor-deposited graphene-based field-effect transistor sensors is still lacking.
APPLIED PHYSICS REVIEWS
(2021)
Article
Chemistry, Physical
Nagmani, D. Pravarthana, A. Tyagi, T. C. Jagadale, W. Prellier, D. K. Aswal
Summary: A highly selective and sensitive hydrogen sulfide sensor based on nanocrystalline TiO2 thin film on a silicon substrate was developed, showing exceptional sensor response and stability at different H2S gas concentrations. The surface roughness and defects of the TiO2 film were found to play a significant role in achieving better selectivity and sensitivity properties for the sensor.
APPLIED SURFACE SCIENCE
(2021)
Article
Green & Sustainable Science & Technology
Sunil Tiwari, Natalia Tomczewska-Popowycz, Shiv Kumar Gupta, Magdalena Petronella Swart
Summary: This study examines the satisfaction levels of local residents towards economic, socio-cultural, and environmental development in the context of sustainable tourism. Different levels of satisfaction were found among local residents regarding overall sustainable development and specific aspects of economic, socio-cultural, and environmental development. The study also highlights the high positive correlation among these aspects and their significant impact on sustainable tourism development.
Article
Biology
Assefa Denekew Zewdie, Sunita Gakkhar, Shiv Kumar Gupta
Summary: This paper proposes and analyzes a nonlinear deterministic anthrax model involving humans and animals. The study explores the reproduction number and equilibrium points to understand the dynamic behavior of the disease. It discusses the stability of equilibrium points and extends the model to include optimal control measures such as human and animal vaccination. Numerical simulations show the effectiveness of these control measures in reducing the spread of the disease.
JOURNAL OF BIOLOGICAL SYSTEMS
(2022)
Article
Social Sciences, Mathematical Methods
Vrinda Dhingra, Shiv Kumar Gupta, Amita Sharma
Summary: Short selling is incorporated into the minimum variance model in this study by considering different practical settings and constraints. The proposed models outperform other related models in terms of various performance measures, and the 1-norm constrained model is particularly effective in terms of variance and Sharpe ratio. The research provides valuable insights and guidance for portfolio construction and risk management with short selling.
COMPUTATIONAL MANAGEMENT SCIENCE
(2023)
Article
Physics, Multidisciplinary
Shanay Rab, Sanjay Yadava, S. K. Jaiswal, Abid Haleem, D. K. Aswal
Summary: This paper explores the Quality Infrastructure systems of different countries and discusses the essential components of those systems, as well as the comparative study on Global Quality Infrastructure Index. It also highlights the development status of QI systems in various countries.
INDIAN JOURNAL OF PURE & APPLIED PHYSICS
(2021)
Article
Geography, Physical
Shiv Kumar Gupta, Sunil Tiwari, Mihai Voda
Summary: This study assesses the satisfaction of different stakeholders in Pushkar, revealing varying levels of satisfaction with core indicators of sustainability. Stakeholders show lower satisfaction on core indicators such as developmental stress, use intensity, waste management, indicating areas for improvement.
GEOGRAPHIA TECHNICA
(2021)
Proceedings Paper
Physics, Condensed Matter
Meetu Bharti, Ajay Singh, A. K. Debnath, K. P. Muthe, D. K. Aswal
DAE SOLID STATE PHYSICS SYMPOSIUM 2019
(2020)
Article
Chemistry, Physical
Neelam Shivran, Shankar P. Koiry, Chiranjib Majumder, Anil K. Chauhan, Dinesh K. Aswal, Subrata Chattopadhyay, Soumyaditya Mula
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
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)
