Review
Chemistry, Inorganic & Nuclear
Niklas Volk, Payal Malik, Antonio Garcia Alcaraz, Arturo Espinosa Ferao, Rainer Streubel
Summary: This review discusses the chemistry, synthesis methods, physical properties, and synthetic opportunities of sigma(3) lambda(3)-oxaphosphirane metal complexes developed over the past 30 years. The review also examines their applications in various reactions.
COORDINATION CHEMISTRY REVIEWS
(2021)
Article
Chemistry, Multidisciplinary
Anita Ragyanszki, Bela Fiser, Edward Lee-Ruff, Joel F. F. Liebman
Summary: Computational methods were used to investigate the differences between the regioisomers 1- and 2-azabicyclobutane and 1H- and 2H-azirines in small ring nitrogen heterocycles. While 1-azabicyclobutane and 2H-azirine are well-established starting points for larger nitrogen heterocycles, 2-azabicyclobutane and 1H-azirine and their derivatives have not yet been reported as isolable compounds. Calculated parameters such as structure, proton affinities, NICS values, and enthalpies of formation were used to explain the destabilization of the less stable regioisomers. The destabilization is attributed to homoantiaromaticity in 2-azabicyclobutane and antiaromaticity in 1H-azirine. The presence of two stereoisomers in 2-azabicyclobutane, with the endo- stereoisomer being more stable, indicates the hydrogen bond acceptor properties of the neighboring cyclopropane and the π-bond character of the central bond in 2-azabicyclobutane.
Article
Chemistry, Physical
Pier Paolo Poier, Theo Jaffrelot Inizan, Olivier Adjoua, Louis Lagardere, Jean-Philip Piquemal
Summary: Using a deep neuronal network (DNN) model trained on a large data set, researchers propose a transferable density-free many-body dispersion (DNN-MBD) model. The DNN-MBD model bypasses explicit density partitioning and achieves comparable accuracy to other approaches. It reduces computational cost and can be coupled with other models for large-scale calculations.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Review
Chemistry, Multidisciplinary
Adriana Luque, Jan Paternoga, Till Opatz
Summary: This review discusses the application of photochemical processes in constructing highly strained molecular frameworks, focusing on the formation of strained intermediates by excitation with ultraviolet light and their subsequent transformation into lower energy products. Emphasis is placed on photogenerated three- and four-membered rings in small ring systems, with examples mainly from 2000 to May 2020.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Delano P. Chong, Feng Wang
Summary: This study investigates ammonia borane and its two dehydrogenated products for the first time using calculated photoemission spectra of the valence and core electrons. The dehydrogenation process affects properties such as hydrogen bonding and dihydrogen bonding, as well as the valence and core electronic structures of the boron-nitrogen hydrides.
Article
Chemistry, Multidisciplinary
Tomsmith O. Unimuke, Hitler Louis, Ededet A. Eno, Ernest C. Agwamba, Adedapo S. Adeyinka
Summary: The application of plain cycloalkanes and heterocyclic derivatives in the synthesis of valuable natural products and pharmacologically active intermediates has increased significantly in recent times, with a focus on lower cycloalkane members. The structural and molecular properties of higher seven-membered and nonaromatic heterocyclic derivatives are less understood, despite their stable nature and extensive application, indicating a need for further research in this area. Various quantum chemical calculations were employed to investigate the structural reactivity, stability, and behavior of substituents on cycloheptane and its derivatives, revealing insights into their molecular properties and interactions.
Article
Chemistry, Physical
Jordan A. A. Claus, Celina Bermudez, Valerie Vallet, Laurent Margules, Manuel Goubet
Summary: The hydration of α-naphthaldehyde and β-naphthaldehyde isomers was studied using Fourier transform microwave spectroscopy and quantum chemical calculations. Monohydrate structures were observed for both isomers, with β-naphthaldehyde exhibiting higher hydrophilicity. The hydrates were found to possess a predominantly planar structure, consistent with computational calculations and experimental spectra.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Andrew R. Cameron, Adam J. Proud, Jason K. Pearson
Summary: Due to the limitations of ab initio techniques in modeling large systems, it is important to develop high-accuracy computational models with low computational cost for predicting electronic structures and properties of macromolecular species. Composite methods, which combine multiple model chemistries, can approximate the results of expensive correlated model chemistries with good fidelity. However, the impact of low-cost models on the predictive accuracy of composite methods is not well understood, and a comprehensive exploration of all model chemistries would be beneficial for the design and validation of a generalizable composite method.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2023)
Article
Chemistry, Inorganic & Nuclear
Maxim Shamshurin, Svetlana A. Martynova, Maxim N. Sokolov, Enrico Benassi
Summary: IR and Raman spectroscopies are important for characterizing the structures and spectroscopic properties of Nb and Ta octahedral halide clusters and the polymeric Ta6I14. Quantum chemical calculations and analyses of intra-cluster interactions were performed to understand the relationship between the structural and spectroscopic data, particularly the main vibrational normal modes.
Article
Optics
Henrik H. Kristensen, Lorenz Kranabetter, Constant A. Schouder, Jacqueline Arlt, Frank Jensen, Henrik Stapelfeldt
Summary: Alkali-metal dimers, Ak2, on He nanodroplets are doubly ionized by multiphoton absorption, leading to fragmentation into a pair of alkali-metal cations. The distribution of internuclear distances, P(R), is retrieved from the kinetic energy distributions, P(Ekin), of the Ak+ fragment ions. Despite deviations from the vibrational ground state wave function, imaging of vibrational wave packets in alkali-metal dimers on He droplets surfaces is feasible through timed Coulomb explosion.
Article
Chemistry, Physical
Peter Politzer, Jane S. Murray
Summary: The electrostatic potential at the nucleus is a characteristic property of an atom, which can be used to express the energies of atoms and molecules. Molecular energies can be written as sums of atomic contributions, without explicit interatomic terms. This study supports the validity of the atoms-in-molecules concept.
THEORETICAL CHEMISTRY ACCOUNTS
(2021)
Article
Chemistry, Multidisciplinary
Jesus Jara-Cortes, Cherif F. Matta, Jesus Hernandez-Trujillo
Summary: This paper presents an approach for the fast calculation of the interacting quantum atoms energy decomposition (IQA) from the information contained in the first order reduced density matrix. The proposed methodology uses an approximate exchange-correlation density from Density Matrix Functional Theory, and estimates weight factors to decompose the exact V-xc into atomic and pairwise contributions. The method can be used to obtain atomic contributions in excited states and ground states, and extends the applicability of the IQA approach in the study of large photochemical systems.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2022)
Article
Crystallography
Anna K. Przybyl, Anita M. Grzeskiewicz, Maciej Kubicki
Summary: Eight new cytisines were synthesized and characterized, with two compounds having their X-ray crystal structures obtained for in-depth analysis of interactions and energies. The results suggest no direct connection between geometric interactions and molecule-to-molecule energies. Transfer of multipolar parameters in estimating critical points' characteristics has been confirmed to be useful.
Article
Chemistry, Physical
Hong Zhu, Ruoqi Zhao, Yangyi Lu, Meiyi Liu, Jun Zhang, Jiali Gao
Summary: The performance of multistate density functional theory (MSDFT) with nonorthogonal state interaction (NOSI) is assessed. The results show that MSDFT-NOSI using the M06-2X functional performs better than time-dependent density functional theory (DFT) on vertical excitation energies. In comparison with wave function theory, NOSI has smaller errors. MSDFT-NOSI also has little double counting of correlation in comparison with Kohn-Sham (KS) DFT calculations.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Physical
Manuel Hodecker, Adrian L. Dempwolff, Jochen Schirmer, Andreas Dreuw
Summary: This article presents a novel method for calculating ionization potentials based on a unitary coupled-cluster parameterization of the ground-state wave function. The method, known as IP-UCC3, provides accurate electron-detachment energies and spectroscopic amplitudes dominated by one-hole excitations up to third order. The derivation uses a Bernoulli expansion of the UCC transformed Hamiltonian and shows that the effective transition moments are equivalent to the strict third-order algebraic-diagrammatic construction scheme for the electron propagator. However, the equivalence between ADC and UCC excited-state schemes breaks down in fourth or higher order.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Biochemistry & Molecular Biology
Reza Esmaeeli, Antonio Bauza, Alberto Perez
Summary: MELD-DNA is a novel computational approach that predicts the structures of protein-DNA complexes and provides qualitative binding preferences between DNA sequences. It combines molecular dynamics simulations with Bayesian inference, incorporating general knowledge or experimental information. The method is sensitive to sequence-dependent properties and conformational changes required for binding, while information accelerates sampling of bound conformations.
NUCLEIC ACIDS RESEARCH
(2023)
Article
Crystallography
Trishnajyoti Baishya, Rosa M. Gomila, Miquel Barcelo-Oliver, Diego M. Gil, Manjit K. Bhattacharyya, Antonio Frontera
Summary: Two new Ni(II) and Co(II) coordination compounds were synthesized and characterized. Compound 1 is a co-crystal hydrate of Ni(II), while compound 2 is a mononuclear compound of Co(II). The crystal structure analysis revealed various non-covalent interactions, such as anion-pi, pi-pi, C-H···π, C-H···C, which stabilize the compound. The theoretical calculations confirmed the importance of H-bonding interactions and n-stacking contacts in the solid-state stability of compound 1.
Article
Crystallography
Sergi Burguera, Rosa M. M. Gomila, Antonio Bauza, Antonio Frontera
Summary: This study highlights the importance of technetium derivatives in various oxidation states (+7, +6, +5, and +3) for the first time, where copper elements act as electron acceptors. The structure directing role of these derivatives, including anion-anion interactions, is demonstrated using the Cambridge Structural Database (CSD) and density functional theory (DFT) calculations. The study also provides further characterization of the derivatives using Molecular Electrostatic Potential (MEP) surface calculations, Quantum Theory of Atoms in Molecules (QTAIM), and Natural Bond Orbital (NBO) analyses.
Article
Chemistry, Physical
Rafael Barbas, Lidia Bofill, Vineet Kumar, Rafel Prohens, Antonio Frontera
Summary: The crystal structure of the natural dietary compound pterostilbene and phenanthroline cocrystal is reported. The cocrystal forms various supramolecular synthons through H-bonding and C-H···π interactions, with a focus on the parallel face-to-face stacking of the phenanthroline rings, which is a rare feature. Cooperativity effects between H-bonding and aromatic interactions were studied to understand the formation of this unique π-stacking mode.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Multidisciplinary
Philipp Royla, Kai Schwedtmann, Zeyu Han, Jannis Fidelius, Derek P. Gates, Rosa M. Gomila, Antonio Frontera, Jan J. Weigand
Summary: Cationic imidazoliumyl(phosphonio)-phosphanides were obtained via the nucleophilic fragmentation of tetracationic tetraphosphetane with tertiary phosphanes. They can act as [LC-P]+ transfer reagents in phospha-Wittig-type reactions, yielding cationic phosphaalkenes and phosphanides. The versatility of [LC-P]+ as a valuable P1 building block was demonstrated in substitution reactions, providing a convenient access to difficult-to-synthesize compounds.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Biochemistry & Molecular Biology
Sergi Burguera, Antonio Frontera, Antonio Bauza
Summary: In this study, the effects of substituents on silicon tetrel bonding (TtB) complexes were investigated using theoretical calculations. The electronic nature of substituents in both donor and acceptor moieties was found to influence the interaction energy. Different tetrafluorophenyl silane derivatives with various electron donating and electron withdrawing groups were used, along with hydrogen cyanide derivatives as electron donor molecules. The results showed good regression plots between interaction energies and Hammett's sigma parameter.
Article
Chemistry, Multidisciplinary
Xiao-Xiao Chen, Rosa M. Gomila, Juan Manuel Garcia-Arcos, Maxime Vonesch, Nerea Gonzalez-Sanchis, Aurelien Roux, Antonio Frontera, Naomi Sakai, Stefan Matile
Summary: We have developed a new design paradigm for fluorescent flipper probes, which allows for rapid screening and targeting of membrane tension in living cells.
Article
Chemistry, Multidisciplinary
Ismayil M. Garazade, Atash V. Gurbanov, Rosa M. Gomila, Antonio Frontera, Ana V. M. Nunes, Kamran T. Mahmudov, Armando J. L. Pombeiro
Summary: The study investigates the role of noncovalent interactions (spodium, halogen and hydrogen bonds) in the reaction of [Zn{NH=C(CCl3)NC(CCl3)=NH}(2)] with acetone, pyrazole, 4,4'-bipyridine and Cu(acetylacetonate)2. Different types of organic, coordination, and supramolecular compounds were obtained depending on the reactants, revealing various types of noncovalent interactions.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Guillermo Romo-Islas, Rosa M. Gomila, Antonio Frontera, Laura Rodriguez
Summary: Four series of Pt(ii) tweezer compounds were designed and synthesized to investigate their ability to form luminescent supramolecular assemblies. The compounds have a general chemical structure of (diphos)Pt(N<^>N<^>N), where diphos is a diphosphane that imparts a tweezer structure to the complexes. The four series differ in the substituents of the N<^>N<^>N ligands, which affect their electronic and bulk properties. Spectroscopic analysis and DFT calculations revealed the presence of intra- and intermolecular Pt•••Pt, Pt•••π, and π•••π interactions, leading to aggregates with varying stabilities. The aggregation process was analyzed in both solution and solid state, showing that emission properties are influenced by aggregation, as demonstrated by enhanced phosphorescence emission in the absence of chloride substituents.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Multidisciplinary
Sudip Bhunia, Pubali Das, Snehasis Banerjee, Rosa M. Gomila, Michael G. B. Drew, Antonio Frontera, Partha Pratim Ray, Shouvik Chattopadhyay
Summary: Three mixed-valence trinuclear cobalt(III)-cobalt(II)-cobalt(III) complexes were synthesized using two tetradentate N2O2 donor 'reduced Schiff base' ligands and acetate or benzoate as anionic co-ligands. The solid state structures of these complexes were characterized and their electrical conductivity was studied. These complexes were also used to fabricate Schottky barrier diodes.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Simone Ghinato, Alessia Giordana, Eliano Diana, Rosa M. Gomila, Emanuele Priola, Antonio Frontera
Summary: This manuscript reports the synthesis and X-ray characterization of two cyanidoaurate telluronium salts, and investigates the chalcogen bonds using DFT calculations. The results show that the tellurium atom can establish directional interactions with adjacent anions through chalcogen bonds. Significant charge transfer from the N-atom to the anti-bonding orbital of the cation is also observed in some cases.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Rafel Prohens, Rafael Barbas, Beatriz G. de la Torre, Fernando Albericio, Antonio Frontera
Summary: This article reports on the crystal structure and properties of Oxyma-B, an important racemization suppressor for peptide synthesis. Through a combination of experimental and computational methods, the solid-state landscape and hydration tendency of this substance have been revealed.
Article
Chemistry, Multidisciplinary
Cuong Dat Do, David Pal, Andrey Belyaev, Marion Pupier, Anniina Kiesilae, Elina Kalenius, Bartomeu Galmes, Antonio Frontera, Amalia Poblador-Bahamonde, Fabien B. L. Cougnon
Summary: This study investigates the complex conformational change of a doubly-interlocked catenane upon addition of sulfate, revealing a highly cooperative binding of two sulfate anions through multiple hydrogen bonds and electrostatic interactions.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Sergi Burguera, Antonio Frontera, Antonio Bauza
Summary: By combining computations and X-ray structure analysis, we have demonstrated that [Pt(CN4)](2-) can act as a Lewis acid inside an enzyme's cavity. The nature of an unexpected contact between a catalytically active GLN residue in a mitochondrial synthase and the Pt(ii) center was investigated using molecular dynamics and quantum mechanics calculations. The results confirm the electron acceptor role of [Pt(CN4)](2-), which serves as inspiration for designing biomolecular cages that can modify the nucleophilic/electrophilic character of an organometallic compound.
CHEMICAL COMMUNICATIONS
(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)
