Article
Chemistry, Physical
Zuolei Zhu, Chenxi Xu, Yucheng Wang, Ling Wang, Zhou Chang, Zhongwei Fang, Xiaoteng Liu, Jigui Cheng
Summary: A non-precious metal electrocatalyst for oxygen evolution reaction is achieved by synergistically coupling layered double hydroxides and hybrid supports. The catalyst exhibits superior activity with a promising low overpotential in alkaline medium due to the strong interfacial interaction and electronic coupling between components.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Physical
Arijit Kapuria, Tapas Kumar Mondal, Bikash Kumar Shaw, Yan-Kuin Su, Shyamal K. Saha
Summary: Functionalized carbon based 2D materials show promise as low cost and environmentally friendly electrocatalysts for hydrogen evolution reaction (HER) and supercapacitor applications. Metal free polysulfide functionalized reduced graphene oxide (GPS) is successfully synthesized as an efficient HER electrocatalyst and energy storage device. The material exhibits high current density and specific capacitance due to the synergistic effect of the graphene network and polysulfide functionalizations.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Theophile Niyitanga, Haekyoung Kim
Summary: In this study, bimetallic copper-cobalt oxide nanoparticles embedded on nitrogen-doped reduced graphene oxide substrates were fabricated as catalysts for the oxygen evolution reaction and hydrogen evolution reaction. The synthesized catalyst exhibited outstanding electrochemical activity, comparable to Pt/C and IrO2, and showed promise as a bifunctional catalyst for overall water splitting.
JOURNAL OF POWER SOURCES
(2023)
Article
Materials Science, Ceramics
Jianhui Chen, Ziran Ye, Mingjia Zhi, Zhanglian Hong
Summary: This study presents a simple method for synthesizing highly porous Co2Ni and Co2Ni/reduced graphene oxide composite aerogels in an aqueous solution. The composite materials show excellent catalytic activity for hydrogen evolution in alkaline electrolytes.
JOURNAL OF SOL-GEL SCIENCE AND TECHNOLOGY
(2022)
Article
Chemistry, Physical
Jiuli Chang, Zhanqiang Hu, Dapeng Wu, Fang Xu, Chen Chen, Kai Jiang, Zhiyong Gao
Summary: Efficient and bifunctional phosphide-reduced graphene oxide (rGO) hybrid catalysts were used for the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), enabling the production of green hydrogen through water electrolysis.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Chemistry, Physical
Yingliang Feng, Sifan Zhang, Lihua Zhu, Guoda Li, Ning Zhao, Huan Zhang, Bing Hui Chen
Summary: Hydrogen energy has gained significant attention due to its high energy density and lack of carbon dioxide emissions, making it a valuable green energy source. Water electrolysis for hydrogen production offers great potential due to its cleanliness and lack of pollution. However, developing an efficient, stable, and cost-effective electrocatalyst remains a challenge. In this study, researchers have developed a reduced graphene oxide-supported ruthenium (Ru) nanoparticle electrocatalyst using a simple method. The Ru/rGO catalyst demonstrates excellent electrocatalytic activity and long-term stability for the hydrogen evolution reaction. It outperforms commercial Pt/C and other Ru/rGO catalysts in terms of performance. This work presents a new strategy for synthesizing efficient electrocatalysts.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Min Zhu, Qing Yan, Xiaojing Bai, Hao Cai, Jing Zhao, Yongde Yan, Kai Zhu, Ke Ye, Jun Yan, Dianxue Cao, Guiling Wang
Summary: Hydrogen evolution reaction (HER) is a promising technology for addressing energy issues, and the catalyst CoSe2-MoSe2(1-1)/rGO exhibits impressive performance in both acidic and alkaline conditions.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Chemistry, Physical
Jinzhou Li, Xinyu Gu, Jiuli Chang, Dapeng Wu, Fang Xu, Kai Jiang, Zhiyong Gao
Summary: A MoOx-FeCoCu alloy catalyst was designed for efficient HER and OER, showing enhanced efficiency and durability, suitable for water electrolyzers with low driving voltage. The study provides a feasible approach for designing efficient bifunctional catalysts for water electrolysis through POM-mediated co-assembly and calcination treatment.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Nanoscience & Nanotechnology
Salim Caliskan, Anqi Wang, Fen Qin, Stephen D. House, Jung-Kun Lee
Summary: In this study, molybdenum carbide nanoparticles and molybdenum carbide-reduced graphene oxide nanocomposites were synthesized using a facile, microwave-assisted solvothermal method at elevated temperatures. The optimized nanocomposite catalysts showed excellent performance for the hydrogen evolution reaction in acidic media.
ACS APPLIED NANO MATERIALS
(2022)
Article
Chemistry, Physical
Jing Dong, Tingting Sun, Yixin Zhang, Hong Zhang, Songrang Lu, Dongmei Hu, Jianfeng Chen, Lianbin Xu
Summary: By the synergistic interaction of Ni and Co, mesoporous structure of NiCo alloy, and the optimized combination of mesoporous NiCo with rGO, the optimal MNi63Co37/rGO(5) catalyst shows excellent electrocatalytic performance for hydrogen evolution reaction (HER) with a low overpotential of 115 mV, current density of 10 mA cm(-2), Tafel slope of 45 mV dec(-1), and high durability in alkaline solution.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Chemistry, Analytical
Sadia Khan, Tayyaba Noor, Naseem Iqbal, Erum Pervaiz
Summary: This study focuses on the rational design and synthesis of catalysts for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). The 5 wt% rGO@Fe-Co/NC composite shows superior electrochemical activity and stability for both HER and OER in alkaline media.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Jagadis Gautam, Yi Liu, Jie Gu, Zhiyuan Ma, Bipeen Dahal, Aadil Nabi Chishti, Lubin Ni, Guowang Diao, Yongge Wei
Summary: In this study, a highly ordered three-dimensional nano-assembly of Nickel Cobalt Sulphide/Polyaniline@Polyoxometalate/Reduced Graphene Oxide was prepared and demonstrated excellent performance in lithium-ion batteries and hydrogen evolution reactions.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Chemistry, Physical
Min Zhu, Xiaojing Bai, Qing Yan, Yongde Yan, Kai Zhu, Ke Ye, Jun Yan, Dianxue Cao, Xiaomei Huang, Guiling Wang
Summary: In this study, an inexpensive and efficient electrocatalyst for the hydrogen evolution reaction was developed by synthesizing iron molybdenum selenide loaded on reduced graphene oxide. Optimization of the Fe/Mo ratio to 1-1 resulted in a catalyst with excellent performance in acidic and alkaline solutions.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Energy & Fuels
Yamini Kumaran, Thandavarayan Maiyalagan, Sung Chul Yi
Summary: The increasing demand for clean and renewable energy has led to the development of various methods for hydrogen production. The combination of MoS2 with transition metals has been found to enhance the catalytic performance for the hydrogen evolution reaction. Among the catalysts studied, the composite of Co0.5MoS2 with N, S-rGO demonstrated the best electrocatalytic activity and stability.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Article
Chemistry, Multidisciplinary
Jun-Xi Wu, Partha Pratim Bag, Yan-Tong Xu, Li Gong, Chun-Ting He, Xiao-Ming Chen, Jie-Peng Zhang
Summary: A new type of catalyst support using hydrogen-bonded ultrathin nanosheets was developed, demonstrating high stability and electron modulation effects. This pseudo-porous catalyst support also showed potential for application in other metal phosphides.
ADVANCED MATERIALS
(2021)
Article
Materials Science, Ceramics
Mohammad Bagher Askari, Seyed Mohammad Rozati, Parisa Salarizadeh, Sadegh Azizi
Summary: Co3O4-Ni3S4 (CN) and Co3O4-Ni3S4-rGO (CNR) nanohybrids were synthesized and their synergistic effect as supercapacitor electrode materials was investigated. The results showed that CN and CNR materials exhibited high specific capacitance and cyclic stability, making them promising options for cheap and attractive supercapacitor electrodes.
CERAMICS INTERNATIONAL
(2022)
Article
Electrochemistry
Reihane Etefagh, Seyed Mohammad Rozati, Ahmad Ahmadi Daryakenari, Fatemeh Poursalehi, Majid Karami Keshmarzi
Summary: This study investigated the effect of manganese doping on lithium manganese-rich nickel-manganese-cobalt oxides (LMR-NMCs) cathode materials. Li-1.21[Mn0.54-xNi0.125Co0.125]InxO2 materials were prepared using a sol-gel approach, and their structural, chemical, and thermal properties were examined. The experimental results showed that an appropriate indium doping level of x = 0.015 significantly improves the cycling stability and charge/discharge capacity of the electrode.
JOURNAL OF APPLIED ELECTROCHEMISTRY
(2022)
Article
Physics, Condensed Matter
Sahar Soltani, Seyed Mohammad Rozati, Mohammad Bagher Askari
Summary: A spinel cubic Co3O4 nanostructured thin film was successfully deposited on a preheated FTO substrate using a simple and inexpensive spray pyrolysis method. The film exhibited small grain size and stable electrochemical properties, showing promising potential for various applications.
PHYSICA B-CONDENSED MATTER
(2022)
Article
Materials Science, Multidisciplinary
H. Fayaz Rouhi, S. M. Rozati
Summary: In this article, Tellurium doped zinc oxide thin films were prepared using a simple spray pyrolysis technique. The effects of Te doping concentration on the crystal structure, surface morphology, and optical properties of the films were investigated.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2022)
Article
Chemistry, Physical
Mohammad Bagher Askari, Seyed Mohammad Rozati
Summary: This study successfully synthesized a three-component nanocatalyst composed of cobalt oxide, nickel sulfide, and reduced graphene oxide, and reported their application in alcohol fuel cells. The addition of reduced graphene oxide increased the specific surface area and electrical conductivity of the nanocatalyst, resulting in improved efficiency in the methanol and ethanol electrooxidation processes. Furthermore, the CNR nanocatalyst exhibited high stability in the oxidation reactions of methanol and ethanol.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Review
Chemistry, Multidisciplinary
Anna Krivkova, Vojtech Laitl, Elias Chatzitheodoridis, Lukas Petera, Petr Kubelik, Antonin Knizek, Homa Saeidfirozeh, Barbora Drtinova, Vaclav Cuba, Dan Paclik, Tomas Mocek, Jan Brajer, Jan Kaufman, Martin Divoky, Jakub Koukal, Roman Dudzak, Nikola Schmidt, Petr Bohacek, Svatopluk Civis, Libor Lenza, Miroslav Krus, Martin Ferus
Summary: Under controlled laboratory conditions, lasers can mimic the processes of meteoroids during atmospheric entry and have potential applications in space exploration. We summarize the results of laser ablation experiments on meteorite specimens using different laser sources and analyze the differences in ablation spot morphology and their dependence on laser parameters.
APPLIED SCIENCES-BASEL
(2022)
Article
Astronomy & Astrophysics
Martin Ferus, Antonin Knizek, Lukas Petera, Adam Pastorek, Jana Hrncirova, Lubos Jankovic, Ondrej Ivanek, Jiri Sponer, Anna Krivkova, Homa Saeidfirozeh, Svatopluk Civis, Elias Chatzitheodoridis, Klaudia Mrazikova, Lukas Nejdl, Franz Saija, Judit E. Sponer, Giuseppe Cassone
Summary: The influx of matter from impacting meteoroids and hydrothermal crater weathering plays an important role in modifying the rock and mineral inventory of young planets. These processes not only affect the geochemical environment of early planets like Mars, but also the prebiotic chemistry on early Earth. The study found that both plasma-initiated synthesis during impact and post-impact thermochemistry can produce nucleobases and amino acids, with the latter being essential in the formation of intermediate species.
FRONTIERS IN ASTRONOMY AND SPACE SCIENCES
(2022)
Correction
Electrochemistry
Reihane Etefagh, Seyed Mohammad Rozati, Ahmad Ahmadi Daryakenari, Fatemeh Poursalehi, Majid Karami Keshmarzi
JOURNAL OF APPLIED ELECTROCHEMISTRY
(2023)
Article
Chemistry, Physical
Hassan Zare Asl, Seyed Mohammad Rozati
Summary: This study investigated the influence of Zn doping on the electrochemical properties of Co3O4 thin films. First, an FTO film was spray-deposited onto a glass substrate. Then, undoped and Zn-doped Co3O4 thin films with different concentrations were spray-deposited onto the FTO film. The areal capacitance and resistance of the prepared cells were analyzed using cyclic voltammetry and Nyquist plot.
CHEMICAL PHYSICS LETTERS
(2023)
Article
Engineering, Electrical & Electronic
Tohid Ganj, Seyed Mohammad Rozati, Yashar Azizian-Kalandaragh, Golamreza Pirgholi-Givi, Semsettin Altindal
Summary: In this paper, cerium-oxide nanostructures were synthesized using the hydrothermal method and fabricated into different types of SBDs to study the effects of organic interlayers on electrical properties and conduction mechanisms. The properties of the nanostructures were analyzed using various characterization methods, and the results showed that the average crystallite size was around 30-40 nm. The presence of the organic interlayer improved the performance of the SBDs by decreasing the surface state energy levels and changing the conduction mechanism.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2023)
Article
Physics, Multidisciplinary
Tohid Ganj, S. M. Rozati, Yashar Azizian-Kalandaragh, Gholamreza Pirgholi-Givi
Summary: In this research, Au-PVC-Si (MPS1), Au-(CeO2: PVC)-Si (MPS2) Schottky barrier diodes (SBDs) grown on n-type silicon (n-Si) were studied to investigate the frequency dependence and the effect of polymer interlayer on dielectric parameters. The results showed that the dielectric parameters are sensitive to frequency, especially in the low-frequency range. The presence of the PVC and (PVC: CeO2) interlayer increased the dielectric constant and conductivity compared to MS-type SBDs.
Review
Chemistry, Analytical
Mohammad Bagher Askari, Parisa Salarizadeh, Payam Veisi, Elham Samiei, Homa Saeidfirozeh, Mohammad Taghi Tourchi Moghadam, Antonio Di Bartolomeo
Summary: The advent of new nanomaterials has led to significant advancements in energy production and storage. Transition metal dichalcogenides (TMDs), with their unique structure and properties, have emerged as the most promising materials in this field. Recent research on TMD-based catalysts and electrode materials have shown remarkable progress in their applications in electrochemical batteries and solar cells, with a particular focus on MoS2 as the most extensively studied and utilized TMD material.
Review
Astronomy & Astrophysics
Martin Ferus, Antonin Knizek, Giuseppe Cassone, Paul B. Rimmer, Hitesh Changela, Elias Chatzitheodoridis, Inna Uwarova, Jan Zabka, Petr Kabath, Franz Saija, Homa Saeidfirozeh, Libor Lenza, Miroslav Krus, Lukas Petera, Lukas Nejdl, Petr Kubelik, Anna Krivkova, David Cerny, Martin Divoky, Michael Pisarik, Tomas Kohout, Lakshika Palamakumbure, Barbora Drtinova, Klara Hlouchova, Nikola Schmidt, Zita Martins, Jorge Yanez, Svatopoluk Civis, Pavel Porizka, Tomas Mocek, Jona Petri, Sabine Klinkner
Summary: This review summarizes the history and current development of using laser-induced dielectric breakdown to simulate meteor plasmas and impact events, and outlines future research directions.
FRONTIERS IN ASTRONOMY AND SPACE SCIENCES
(2023)
Article
Physics, Condensed Matter
Sahar Soltani, Seyed Mohammad Rozati, Mohammad Bagher Askari
Summary: The effect of Mn doping on the structural, surface morphology, and optical properties of Co3O4 and Mn: Co3O4 thin films were investigated in this study. The results showed that Mn doping changed the surface structure of Co3O4 and significantly affected the optical properties of the films. In addition, increasing the Mn concentration decreased the resistance of the films.
MICRO AND NANOSTRUCTURES
(2022)
Article
Chemistry, Analytical
Homa Saeidfirozeh, Ashwin Kumar Myakalwar, Petr Kubelik, Amirhossein Ghaderi, Vojtech Laitl, Lukas Petera, Paul B. Rimmer, Oliver Shorttle, Alan N. Heays, Anna Krivkova, Miroslav Krus, Svatopluk Civis, Jorge Yanez, Erik Kepes, Pavel Porizka, Martin Ferus
Summary: We developed an artificial neural network method to accurately characterize key physical parameters of plasma and mitigate common issues in evaluating laser-induced breakdown spectra. We trained the neural network on xenon spectra and compared the results with a standard model. This method offers a comprehensive approach for geochemical analysis, particularly in detecting xenon in geochemical systems, with a significant speed improvement and minimal input information required.
JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY
(2022)
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)