Article
Materials Science, Multidisciplinary
Siyuan Luo, Shuai Zhang, Hewei Yuan, Zhenhua Wu, Ming Li
Summary: The construction of 3D hierarchically heterostructured nanoarrays is an efficient approach for developing high-performance PEC cells for water splitting. In this study, novel 3D branched Cu2S/ZnO heterojunction nanowire arrays are fabricated as photocathodes for enhanced PEC water splitting. The 3D Cu2S/ZnO NWAs demonstrate improved light trapping ability and higher photocurrent density compared to pristine Cu2S NWAs, with an optimal IPCE of 10.5% at 450 nm. The enhanced performance can be attributed to increased light absorption and stepwise band-edge structure for charge separation and transport.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Kaijian Zhu, Guido Mul, Annemarie Huijser
Summary: Delafossite CuBO2 has been experimentally validated as a promising p-type semiconductor for photocathodes, showing higher hole mobility and slower charge recombination compared to traditional NiO.
Article
Chemistry, Physical
Xi Zhang, Stephan Pollitt, Gihun Jung, Wenzhe Niu, Pardis Adams, Jan Buhler, Nora S. Grundmann, Rolf Erni, Maarten Nachtegaal, Neul Ha, Jisu Jung, Byungha Shin, Wooseok Yang, S. David Tilley
Summary: This work addresses the issue of short minority carrier diffusion length in Cu2S by synthesizing nanostructured Cu2S thin films, which enables increased charge carrier collection. The photocathode based on the nanoplate Cu2S reveals enhanced charge carrier collection and improved photoelectrochemical water-splitting performance. This work provides a simple, cost-effective, and high-throughput method to prepare phase-pure nanostructured Cu2S thin films for scalable solar hydrogen production.
CHEMISTRY OF MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Fei Han, Wei Xu, Chun-Xu Jia, Xiang-Tao Chen, Ying-Peng Xie, Chao Zhen, Gang Liu
Summary: Researchers developed a heterostructure photocathode by combining Cu-doped NiO (Cu:NiO) hole selective layer and Ni-doped CuFeO2 (Ni:CuFeO2) active layer, which greatly improved the separation efficiency of photogenerated carriers. The Cu:NiO/Ni:CuFeO2 photocathode exhibited a photocurrent density of 0.9 mA·cm(-2), outperforming most reported bare CuFeO2 photocathodes.
Article
Energy & Fuels
Neetesh Kumar, Hock Beng Lee, Barkha Tyagi, Manoj Mayaji Ovhal, Sinyoung Cho, Jong-Soo Lee, Jin-Woo Oh, Jae-Wook Kang
Summary: In recent years, researchers have used spray deposition technology to fabricate tin oxide electron transport layer (ETL) for perovskite solar cells (PSC). However, the power conversion efficiency (PCE) of spray-deposited SnO2 ETL is lower than that of spin-coated SnO2 ETL. This study demonstrates the combined use of spray deposition and genetically engineered M13 bacteriophages to deposit M13-SnO2 biohybrid ETL over large-area substrates, resulting in improved PCE of approximately 22.1% and enhanced stability of the PSCs.
Article
Energy & Fuels
Priyadarshani Narayanasamy, Sabari Girisun Chidambaram, Mathankumar Mahendran, Subhendu K. Panda, Subramanian Balasubramanian
Summary: Ternary oxide thin films of copper niobate with various compositions were successfully fabricated using pulsed laser deposition technique. The films exhibit different crystal structures including monoclinic CuNbO3, monoclinic CuNb3O8 (Cu[I]), and triclinic Cu3Nb2O8 (Cu[II]). These films show promising potential in photovoltaic performance, offering a new option for p-dye-sensitized solar cells.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Article
Chemistry, Physical
K. Gunasekaran, S. Athithya, M. Navaneethan, S. Harish, J. Archana
Summary: A novel two-dimensional hexagonal mesoporous nickel oxide and titanium substituted nickel oxide nanosheets were synthesized and used as counter electrodes in dye-sensitized solar cells, showing excellent electrochemical and photovoltaic performance. The high performance of nickel oxide-based and 1-TNO-based counter electrodes can be attributed to the high specific surface area and mesoporous nature of the nanosheet structure.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Analytical
Hui-Yu Zou, Fen-Ying Kong, Xin-Yang Lu, Meng-Jiao Lu, Yuan-Cheng Zhu, Rui Ban, Wei-Wei Zhao, Wei Wang
Summary: The study presents the design and development of a 3D hierarchical CdS/NiO heterojunction for self-powered cathodic photoelectrochemical bioanalysis, which achieved glucose detection with high sensitivity and selectivity.
Article
Chemistry, Multidisciplinary
Federico Droghetti, Elisabetta Benazzi, Rita Boaretto, Mirco Natali
Summary: This study systematically evaluated simple methods for depositing Pt metal onto dye-sensitized NiO electrodes. Photoelectrochemical characterization in an aqueous solution at pH 4 showed that all the tested methods effectively achieved photocathodes for hydrogen production. The best performance was achieved using a light-assisted deposition method with small Pt islands uniformly distributed on the sensitized NiO.
APPLIED SCIENCES-BASEL
(2022)
Article
Chemistry, Multidisciplinary
Chen Ye, Haoliang Cheng, Sina Wrede, Steiphane Diring, Haining Tian, Fabrice Odobel, Leif Hammarstro''m
Summary: Control of charge separation and recombination is crucial for dye-sensitized solar cells and photoelectrochemical cells. By promoting lateral electron hopping between dyes on a p-type semiconductor surface, the recombination process can be retarded, leading to enhanced cell performance. Experimental results supported the hypothesis that charge recombination is slowed down after charge hopping, providing important information on charge carrier kinetics in the dye-sensitized NiO photoelectrode system.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Polymer Science
Xiuhua Yuan, Yeling Liu, Hui Yuan, Bingxin Liu, Tianyu Guo, Huawei Zhou, Xia Li
Summary: The study successfully prepared a CuBi2O4/Pt photocathode with increased cocatalyst sites, achieving higher photocurrent density and incident photon-to-current conversion efficiency in photoelectrochemical water splitting.
Article
Chemistry, Physical
Rohit Patil, Yogesh Khollam, Aniket Kadam, Bhaurao Bond, Revati Potdar, Baliram Nadekar, Umesh T. Nakate, Shoyebmohamad F. Shiakh, Pravin S. More
Summary: This study investigates the synthesis and characterization of cadmium sulfide (CdS) and graphene oxide (GO) composite films, which show promising optical and electric properties for solar cell applications. The composite films exhibit enhanced optical properties compared to pure CdS films, indicating their potential for use in solar cell applications. The spray deposition method used in this study offers a simple and cost-effective way to prepare large-area films for practical applications.
SURFACES AND INTERFACES
(2023)
Article
Chemistry, Analytical
Huan Wang, Yingtao Zhang, Xiaojia Lin, Chengxue Zong, Mengwei Lv, Chunxiang Li
Summary: This study presents a novel iridium complex-sensitized NiO photocathode system and its first application in cathodic photoelectrochemical immunoassay. The photocathode exhibited favorable PEC characteristics under visible light illumination and showed high sensitivity and excellent selectivity for the determination of prostate-specific antigen. These findings suggest a promising future for the application of iridium complex-sensitized NiO photocathodes in PEC bioanalysis.
SENSORS AND ACTUATORS B-CHEMICAL
(2022)
Article
Engineering, Electrical & Electronic
Jian Song, Qinyuan Qiu, Xingzhou Su, Yulong Zhao, Yinghuai Qiang
Summary: The study demonstrated that the double-layer NiO hole transport layer can improve charge transfer at the NiO/perovskite interface and reduce carrier recombination loss of the device. Devices based on the double-layer NiO hole transport layer achieved higher fill factor and lower hysteresis effect, resulting in an increased power conversion efficiency of 14.3%.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2022)
Article
Chemistry, Multidisciplinary
Hao Hong, Jiaxun Song, Xingchen Pan, Mingrui Luo, Richard Notzel
Summary: Cu2O microcrystals are electrodeposited on a GaN photoanode to enhance the efficiency of solar water splitting. The optimized Cu2O deposition amount improves the photocurrent density due to the built-in electric field and band offsets of the n-GaN/p-Cu2O heterostructure, facilitating the separation and transport of photogenerated charge carriers.
Article
Energy & Fuels
Byung-wook Park, Hyoung Woo Kwon, Yonghui Lee, Do Yoon Lee, Min Gyu Kim, Geonhwa Kim, Ki-jeong Kim, Young Ki Kim, Jino Im, Tae Joo Shin, Sang Il Seok
Summary: The study shows that using isopropylammonium to stabilize the perovskite structure greatly improves the long-term stability of solar cells, leading to enhanced efficiency performance.
Article
Multidisciplinary Sciences
Ki-Yong Yoon, Juhyung Park, Minsu Jung, Sang-Geun Ji, Hosik Lee, Ji Hui Seo, Myung-Jun Kwak, Sang Il Seok, Jun Hee Lee, Ji-Hyun Jang
Summary: The study investigates how tin diffusion affects overall photoelectrochemical performance, revealing that germanium is a better dopant for enhancing hematite photoanode performance. A new doping method using germanium suppresses tin diffusion, significantly improving the performance of hematite photoanodes.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Hyeonwoo Kim, Kyoung Su Lee, Min Jae Paik, Do Yoon Lee, Seung-Un Lee, Eunyoung Choi, Jae Sung Yun, Sang Il Seok
Summary: The study focused on the use of inexpensive, efficient, and stable hole-transporting layers (HTLs) for commercialization of perovskite solar cells. By combining CuPc with PMMA interlayer, the PSC showed enhanced efficiency and stability, with PMMA reducing surface defects and electronic barriers. The PSC achieved a PCE of 21.3% and over 80% stability after 760 hours under harsh conditions.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Review
Multidisciplinary Sciences
Jin-Wook Lee, Shaun Tan, Sang Il Seok, Yang Yang, Nam-Gyu Park
Summary: The A cation in ABX(3) organic-inorganic lead halide perovskites (OLHPs) was conventionally believed to hardly affect their optoelectronic properties. However, recent developments have revealed the critical role of the A cation in regulating the physicochemical and optoelectronic properties of OLHPs.
Article
Chemistry, Physical
Sung Heo, Do Yoon Lee, Dongwook Lee, Yonghui Lee, Kihong Kim, Hyun-Sung Yun, Min Jae Paik, Tae Joo Shin, Hyeon Seung Oh, Taeho Shin, Jaekyung Kim, Seong Heon Kim, Sang Il Seok, MohammadKhaja Nazeeruddin
Summary: Metal halide perovskite solar cells have shown remarkable improvement in power conversion efficiency. To overcome the limitation in indoor applications, we investigated the piezoelectric properties of two types of metal halide PSCs and found that adding a 2D structure greatly enhances the piezoelectric amplitude. Furthermore, we identified the role of Pb-Br defects in enhancing the piezoelectricity of the multi-function energy harvesters based on PSCs.
ADVANCED ENERGY MATERIALS
(2022)
Article
Chemistry, Physical
Min Jae Paik, Jin Wook Yoo, Jaewang Park, Eunseo Noh, Hyeonwoo Kim, Sang-Geun Ji, Yu Young Kim, Sang Il Seok
Summary: In this study, a SnO2-TiO2 hybrid electrode was prepared by adding TiO2 nanosol to a SnO2 colloidal solution, which showed improved adhesion to the substrate and energy alignment, resulting in significantly increased efficiency of flexible PSCs.
ACS ENERGY LETTERS
(2022)
Article
Chemistry, Physical
Riming Nie, Weicun Chu, Zhongping Li, He Li, Shanshan Chen, Yaqing Chen, Zhuhua Zhang, Xiaoming Liu, Wanlin Guo, Sang Il Seok
Summary: The power conversion efficiency of perovskite solar cells has significantly improved over the past decade. However, to further enhance efficiency, it is important to address the long-term stability of perovskite materials. This study presents a new approach by synthesizing covalent organic frameworks, which effectively suppress charge recombination and degradation, leading to higher efficiency and stability in perovskite solar cells.
ADVANCED ENERGY MATERIALS
(2022)
Article
Chemistry, Physical
Hanul Min, Sang-Geun Ji, Sang Il Seok
Summary: This study investigates the properties of spin-coated perovskite thin films by adding trioctylphosphine (TOP) as a neutral ligand to the precursor solution. It is found that TOP alleviates the preferred orientation caused by grain boundary defects and reduces microstrain, leading to improved performance of perovskite thin films and higher efficiency of perovskite solar cells.
Article
Chemistry, Multidisciplinary
Liang Chen, Jin Wook Yoo, Manman Hu, Seung-Un Lee, Sang Il Seok
Summary: This study investigates the phase transition and band gap of FAPbI(3) perovskite single crystals grown by an inverse temperature solubility method. The results show that residual solvents accelerate the phase transition, but stable alpha-FAPbI(3) crystals can be obtained by using a specific solvent. It is also found that FAPbI(3) single crystals with a size above 100μm have an inherent band gap of 1.41 eV.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Energy & Fuels
Hyun-Sung Yun, Hyoung Woo Kwon, Min Jae Paik, Sungtak Hong, Jaehui Kim, Eunseo Noh, Jaewang Park, Yonghui Lee, Sang Il Seok
Summary: Researchers have developed an ethanol-based perovskite precursor solution that does not require an antisolvent step, resulting in the production of solar cells with 25% efficiency. This advancement eliminates the need for hazardous solvents and multistep processing in the manufacturing of perovskite solar cells.
Article
Chemistry, Multidisciplinary
Manman Hu, Andi Muhammad Risqi, Jianchang Wu, Liang Chen, Jaewang Park, Seung-Un Lee, Hyun-Sung Yun, Byung-Wook Park, Christoph J. Brabec, Sang Il Seok
Summary: By replacing Li-TFSI with DPI-TPFB as the dopant, FASnI(3)-based PSCs achieved an efficiency of 10.9% and approximately 80% of the initial efficiency was maintained after 1,597 hours under maximum power point tracking conditions. Particularly, the encapsulated device showed no decrease in efficiency even after holding for 50 hours in the 85 degrees C/85% RH condition. The high efficiency and excellent stability of PSCs prepared by doping with DPI-TPFB are attributed to its ability to increase electrical conductivity as a Lewis acid and stabilize Sn2+ through coordination with Sn2+ on the surface of FASnI(3).
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Multidisciplinary Sciences
Jaewang Park, Jongbeom Kim, Hyun-Sung Yun, Min Jae Paik, Eunseo Noh, Hyun Jung Mun, Min Gyu Kim, Tae Joo Shin, Sang Il Seok
Summary: Controlling the crystallinity and surface morphology of perovskite layers is crucial for achieving high-efficiency perovskite solar cells. By adding alkylammonium chlorides (RACl) to a-formamidinium lead iodide (FAPbI(3)), the crystallization process and surface morphology of the perovskite thin films can be controlled. The resulting perovskite thin layers facilitate the fabrication of perovskite solar cells with a high power-conversion efficiency of 26.08%.
Review
Chemistry, Physical
Weiguang Chi, Sanjay K. Banerjee, K. G. D. I. Jayawardena, Sang Il Seok, S. Ravi P. Silva
Summary: In recent years, there has been intensive research on perovskite/silicon tandem solar cells, leading to a rapid increase in their efficiencies. The most suitable subcell for tandem devices is a debatable topic, and this study summarizes three attractive silicon solar cells: passivated-emitter rear-cell (PERC), tunnel oxide passivated contact (TOPCon), and heterojunction (HJT) cells. Their structures and features are elucidated to understand their mechanism and potential for optimum performance. Furthermore, the characteristics and performance of perovskite/silicon tandem cells with these subcells are compared and discussed, with emphasis on the contribution of passivation layer and structure design on both sides. The recombination layer between the two subcells is also analyzed in depth, considering material chemistry, light absorption, and charge transport for achieving an optimized structure.
ACS ENERGY LETTERS
(2023)
Review
Chemistry, Multidisciplinary
Xueping Liu, Deying Luo, Zheng-Hong Lu, Jae Sung Yun, Michael Saliba, Sang Il Seok, Wei Zhang
Summary: Interest in photovoltaics based on Earth-abundant halide perovskites has grown in recent years due to their remarkable properties and energy-efficient processing. However, the stability of the FAPbI(3) phase, a leading candidate, needs to meet industrial standards for commercial success. This article critically assesses the current understanding of phase instabilities, explores stabilization approaches, and highlights the challenges and opportunities for advancing perovskite PVs.
NATURE REVIEWS CHEMISTRY
(2023)
Article
Chemistry, Physical
Hyeonwoo Kim, Do Yoon Lee, Jihoo Lim, Jongbeom Kim, Jaewang Park, Jan Seidel, Jae Sung Yun, Sang Il Seok
Summary: Researchers explore the feasibility of using nickel phthalocyanine (NiPc) as a hole transport material (HTM) for perovskite solar cells (PSCs). By employing a bilayer of NiPc and poly(3-hexylthiophene) (P3HT) as the HTM, the highest reported power conversion efficiency of 23.11% for NiPc-based PSCs is achieved. Additionally, the PSC demonstrates excellent long-term stability, retaining 90% of its initial efficiency after exposure to harsh conditions.
ADVANCED ENERGY MATERIALS
(2023)
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)
