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| Open AccessPromoting high-voltage stability through local lattice distortion of halide solid electrolytes
Solid electrolytes play a crucial role as ion conductors and separator between electrodes in all-solid-state batteries. Here, the authors report a high-entropy halide solid electrolyte, which reveals the structure evolution with the increasing configurational entropy and improves the high-voltage stability.
- Zhenyou Song
- , Tengrui Wang
- & Wei Luo
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Article
| Open AccessElucidation of the role of metals in the adsorption and photodegradation of herbicides by metal-organic frameworks
In this study, the authors explored the correlation between the structure and optoelectronic properties of metal organic frameworks for the removal of a harmful herbicide from water.
- Nan Chieh Chiu
- , Jacob M. Lessard
- & Kyriakos C. Stylianou
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Article
| Open AccessAccessing ladder-shape azetidine-fused indoline pentacycles through intermolecular regiodivergent aza-Paternò–Büchi reactions
Conformationally rigid 3D molecules are of high interest. Here the authors develop intermolecular aza-Paternò-Büchi reactions to access ladder-shape azetidine-fused indoline pentacycles with excellent regiodivergency and stereoselectivity.
- Jianjian Huang
- , Tai-Ping Zhou
- & Fangrui Zhong
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Article
| Open AccessCharacterization of A π–π stacking cocrystal of 4-nitrophthalonitrile directed toward application in photocatalysis
Photoexcitation of the electron-donor-acceptor (EDA) complexes are an effective approach to achieve radicals by triggering electron transfer but the catalytic version of EDA complex photoactivation remains underdeveloped. Here, the authors introduce 4-nitrophthalonitrile as an electron acceptor to facilitate π-stacking with electron-rich aromatics to form EDA complexes.
- Ting Xue
- , Cheng Ma
- & Rong Zeng
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Article
| Open AccessPhotooxidation driven formation of Fe-Au linked ferrocene-based single-molecule junctions
Metal-metal interfaces hold promise as contacting moieties for single-molecule devices with tunable functionality, yet the direct bonding has remained a challenge. Here, Lee et al. report the formation of Fe-Au bond without chemical ligand support in ferrocene-based molecular junctions.
- Woojung Lee
- , Liang Li
- & Latha Venkataraman
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Article
| Open AccessA general supramolecular strategy for fabricating full-color-tunable thermally activated delayed fluorescence materials
Thermally activated delayed fluorescence materials with full-colour tunability are desirable but challenging to prepare. Here, the authors report a method for preparing such materials through the design of host-guest cocrystals with through-space charge transfer.
- Nan Xue
- , He-Ye Zhou
- & Chuan-Feng Chen
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Article
| Open AccessDifficulty in chirality recognition for Transformer architectures learning chemical structures from string representations
There has been limited research on how NLP models comprehend diverse chemical structures despite its popularity. Here, the authors examine the learning process of Transformer for chemical structures and show inherent issues for chirality recognition.
- Yasuhiro Yoshikai
- , Tadahaya Mizuno
- & Hiroyuki Kusuhara
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Article
| Open AccessFacilitating alkaline hydrogen evolution reaction on the hetero-interfaced Ru/RuO2 through Pt single atoms doping
Exploring an active and cost-effective catalyst for alkaline hydrogen evolution reaction remains elusive to date. Here, the authors report the platinum single-atoms doped ruthenium/ruthenium oxides showing distinctly enhanced catalytic performance.
- Yiming Zhu
- , Malte Klingenhof
- & Jiwei Ma
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Article
| Open AccessIntegrating hydrogen utilization in CO2 electrolysis with reduced energy loss
Electrochemical CO2 reduction is a promising method of producing sustainable chemicals and fuels, yet is highly energy intensive. Here, the authors couple CO2 electrolysis with hydrogen oxidation using a Ni(OH)2/NiOOH auxiliary electrode to enhance energy efficiency.
- Xiaoyi Jiang
- , Le Ke
- & Ning Yan
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Article
| Open AccessReconstitution of early paclitaxel biosynthetic network
Paclitaxel is an important anticancer drug whose biosynthetic pathway reconstruction is hindered by the propensity of heterologously expressed pathway cytochromes P450, including taxadiene 5α-hydroxylase (T5αH), to form multiple products. Here, the authors tune the promoter strength for T5αH expression in Nicotiana plants to increase the levels of paclitaxel precursor taxadien-5α-ol by three-fold and reconstitute the six step early biosynthetic pathway of paclitaxel.
- Jack Chun-Ting Liu
- , Ricardo De La Peña
- & Elizabeth S. Sattely
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Article
| Open AccessComputational redesign of a hydrolase for nearly complete PET depolymerization at industrially relevant high-solids loading
The application of the LCC variant of polyethylene terephthalate (PET) hydrolase for industrial degradation of PET has been hindered by the 10% of nonbiodegradable PET. Here, the authors use a computational strategy to engineer TurboPETase which outperforms other PETase variants and achieves nearly complete depolymerization of the postconsumer PET bottles at a high, industrially relevant, level of solids loading.
- Yinglu Cui
- , Yanchun Chen
- & Bian Wu
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Article
| Open AccessElectrocatalytic water oxidation with manganese phosphates
Understanding water oxidation on Mn-based catalysts remains a long-standing challenge. Here, the authors use homologous KMnPO4 and KMnPO4•H2O as model catalyst to show that Mn(V)=O is responsible for O−O bond formation and its concentration determines the intrinsic activity.
- Shujiao Yang
- , Kaihang Yue
- & Wei Zhang
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Article
| Open AccessDynamics of activation in the voltage-sensing domain of Ciona intestinalis phosphatase Ci-VSP
Understanding the molecular basis of voltage-sensing is of great importance in biology. Here, the authors use computational analysis and simulations to reveal atomic level insights into the mechanism of an isolated voltage-sensing domain.
- Spencer C. Guo
- , Rong Shen
- & Aaron R. Dinner
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Article
| Open AccessHigh-spin Co3+ in cobalt oxyhydroxide for efficient water oxidation
Regulating spin state of metal cations in catalysts is recognized as a strategy to improve water oxidation. Herein, the authors constructed high-spin cobalt ions in cobalt oxyhydroxides, experimentally demonstrating accelerated electron transfer ability and thereby superior water oxidation performance.
- Xin Zhang
- , Haoyin Zhong
- & Junmin Xue
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Article
| Open AccessCa-dimers, solvent layering, and dominant electrochemically active species in Ca(BH4)2 in THF
Alternatives to lithium-ion electrochemistry present challenges due to undesirable phenomena at the electrode-electrolyte interface. Through simulations, the authors find that the performance of a calcium-based electrolyte is driven entirely by molecular-scale processes within approximately 1 nm of the electrode.
- Ana Sanz Matias
- , Fabrice Roncoroni
- & David Prendergast
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Perspective
| Open AccessPerformance metrics to unleash the power of self-driving labs in chemistry and materials science
Assessing the performance of self-driving labs (SDLs) is challenging due to the specificities of each experiment. In this Perspective, the authors review recent literature of SDLs for materials science and chemistry and suggest how to report SDL performance more effectively.
- Amanda A. Volk
- & Milad Abolhasani
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Article
| Open AccessCross-catenation between position-isomeric metallacages
The study of cross-catenated metallacages could provide facile insights into achieving more precise control over low-symmetry/high-complexity hierarchical assembly systems but is currently lacking. Here, the authors report a cross-catenane formed between two position-isomeric Pt(II) metallacages in the solid state.
- Yiliang Wang
- , Taotao Liu
- & Jun Li
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Article
| Open AccessOperando investigation of the synergistic effect of electric field treatment and copper for bacteria inactivation
The overuse of chemicals in our disinfection processes has warranted the development of alternatives. Here, authors use a lab-on-a-chip device to study and observe the synergistic effects of electric field treatment and copper for inactivation of bacteria with promising applications in many fields.
- Mourin Jarin
- , Ting Wang
- & Xing Xie
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Article
| Open AccessHierarchical Li electrochemistry using alloy-type anode for high-energy-density Li metal batteries
Utilizing an ultra-thin Li anode with a thickness below 50 μm is crucial for enhancing the energy density of batteries. Here, the authors develop a finely tunable, thin alloy-based Li anode that features a hierarchical Li electrochemistry, enabling stable cycling and superior energy density in Li metal batteries.
- Jiaqi Cao
- , Yuansheng Shi
- & Xia Lu
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Article
| Open AccessCoordination-induced O-H/N-H bond weakening by a redox non-innocent, aluminum-containing radical
Coordination-induced bond weakening (CIBW) by redox-active metals is used to weaken bonds in water and ammonia to facilitate proton-coupled electron transfer but achieving CIBW using aluminium as abundant metal is challenging. Here, the authors report a system that uses aluminum with a redox non-innocent ligand to achieve CIBW of O-H and N-H bonds.
- Soumen Sinhababu
- , Roushan Prakash Singh
- & Neal P. Mankad
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Article
| Open AccessIn-situ formatting donor-acceptor polymer with giant dipole moment and ultrafast exciton separation
Donor-acceptor polymers have potential for application in photocatalysis, but often harsh synthetic conditions are required. Here, the authors report a post-synthetic method for conversion to donor-acceptor states, to give a polymer capable of enhancing photocatalytic hydrogen peroxide synthesis.
- Chang Cheng
- , Jiaguo Yu
- & Mietek Jaroniec
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Article
| Open AccessDecoupled electrolysis for hydrogen production and hydrazine oxidation via high-capacity and stable pre-protonated vanadium hexacyanoferrate
Decoupled electrolysis with the aid of a redox mediator offers great flexibility in operation. Here, the authors construct a decoupled electrolysis system for separate hydrogen production and electricity generation to achieve flexible energy conversion and storage using renewables.
- Fei Lv
- , Jiazhe Wu
- & Yubin Chen
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Article
| Open AccessStructural and mechanistic characterization of bifunctional heparan sulfate N-deacetylase-N-sulfotransferase 1
Heparan sulfate biosynthesis is a complex process involving multiple reactions that extend and modify the polysaccharide. Here, the authors resolve structures of NDST1, responsible for the critical N-sulfoglucosamine modification of heparan sulfate.
- Courtney J. Mycroft-West
- , Sahar Abdelkarim
- & Liang Wu
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Article
| Open AccessTough double network hydrogels with rapid self-reinforcement and low hysteresis based on highly entangled networks
Tough hydrogels commonly utilise energy dissipation mechanisms, but this can lead to challenges in achieving low hysteresis. Here, the authors report a hydrogel with a highly entangled double network that allows reversibility following stretching.
- Ruixin Zhu
- , Dandan Zhu
- & Xinling Wang
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Article
| Open AccessMicroenvironment reconstitution of highly active Ni single atoms on oxygen-incorporated Mo2C for water splitting
The comprehensive understanding of complex catalytic mechanisms under harsh reaction conditions for efficient bifunctional single-atom electrocatalysts remain challenging. Here the authors found microenvironment reconsitution of highly active Ni single atoms on oxygen-incorporated Mo2C for water splitting.
- Mengyun Hou
- , Lirong Zheng
- & Chen Chen
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Article
| Open AccessMiniaturized and untethered McKibben muscles based on photothermal-induced gas-liquid transformation
Traditional McKibben pneumatic artificial muscles are limited by connecting devices, preventing remote control and miniaturization. Here, Ai et all., report a miniaturized McKibben artificial muscle, filled by a low-boiling liquid actuated by light.
- Wenfei Ai
- , Kai Hou
- & Kai Song
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Article
| Open AccessBiomimetic mercury immobilization by selenium functionalized polyphenylene sulfide fabric
The abatement of elemental mercury remains an enormous challenge for public health and ecosystems. Here, inspired by the seleno-mercury antagonism effect in biological systems, the authors developed an ideal Hg0 adsorbent with a record-high adsorption capacity of 1621.9 mg g−1.
- Hailong Li
- , Fanyue Meng
- & Jianping Yang
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Article
| Open AccessStructurally robust lithium-rich layered oxides for high-energy and long-lasting cathodes
O2-type Li-rich layered cathodes suppress voltage decay and aid in oxygen redox research. Here, the authors report trilateral relationship among anionic redox utilization, bulk chemo-mechanical degradation, and electrochemical fading, which can be mitigated by balancing the redox center capabilities.
- Ho-Young Jang
- , Donggun Eum
- & Kisuk Kang
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Article
| Open AccessA nonmetallic plasmonic catalyst for photothermal CO2 flow conversion with high activity, selectivity and durability
In this work, the authors design a Mo2N/MoO2-x nonmetallic plasmonic catalyst by regulating synergy between two specific active sites. Highly efficient, selective, and durable CO2 hydrogenation under relatively mild reaction conditions is achieved
- Xueying Wan
- , Yifan Li
- & Yujie Xiong
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Article
| Open AccessSeparation of benzene and toluene associated with vapochromic behaviors by hybrid[4]arene-based co-crystals
Cocrystal engineering combined with macrocycle chemistry has allowed the development of materials with vapochromic characteristics. Here, the authors report the development of a macrocycle cocrystal for the separation of trace solvents.
- Jingyu Chen
- , Wenjie Zhang
- & Jiong Zhou
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Article
| Open AccessTwofold rigidity activates ultralong organic high-temperature phosphorescence
Obtaining high-temperature phosphorescence in organic materials can potentially lead to broader applications, but can be challenging to achieve. Here, the authors report the use of rigid molecules as both host and guest to give temperature resistance and therefore high-temperature phosphorescence.
- Kaijun Chen
- , Yongfeng Zhang
- & Xiang Ma
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Article
| Open AccessUnified picture of vibrational relaxation of OH stretch at the air/water interface
Using femtosecond time-resolved heterodyne-detected vibrational sum-frequency generation spectroscopy the authors determine the vibrational relaxation (T1) time of the O-H stretch at the air/water interface by observing the decay of excited-state OH signals, providing a comprehensive picture of the interfacial vibrational relaxation process of water.
- Woongmo Sung
- , Ken-ichi Inoue
- & Tahei Tahara
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Article
| Open AccessA surface strategy boosting the ethylene selectivity for CO2 reduction and in situ mechanistic insights
The electrochemical reduction of CO2 into multi-carbon product is interesting yet requires further research. Here, the authors develop a surface strategy to achieve high CO2-to-ethylene selectivity by dodecanethiol modification CuO electrode and show that dodecanethiol facilitates CO2 transfer, enhances *CO coverage and stabilize Cu(100) facet.
- Yinchao Yao
- , Tong Shi
- & Zhuo Chen
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Article
| Open AccessUltralight crystalline hybrid composite material for highly efficient sequestration of radioiodine
The development of effective adsorbents of radioiodine nuclear waste remains difficult due to the lack of proper material design strategies. Here the authors report an ultralight hierarchically porous crystalline multifunctional hybrid nanocomposite for ultrafast entrapment of iodine and polyiodide species under both static and dynamic condition.
- Sahel Fajal
- , Writakshi Mandal
- & Sujit K. Ghosh
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Article
| Open AccessPick-up single-cell proteomic analysis for quantifying up to 3000 proteins in a Mammalian cell
Single-cell proteomics is of fundamental importance to capture biological heterogeneity, while limited in proteome depth. Here, the authors develop a pick-up single-cell proteomic analysis (PiSPA) workflow to achieve a deep coverage of quantifying up to 3000 protein groups in a mammalian cell.
- Yu Wang
- , Zhi-Ying Guan
- & Qun Fang
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Article
| Open AccessReal-time monitoring polymerization degree of organic photovoltaic materials toward no batch-to-batch variations in device performance
Polymerization degree plays a vital role in controlling material properties and batch-to-batch variations in device performance of polymer solar cells. Here, authors develop in-situ photoluminescence system in tandem to track and estimate the polymerization degree of organic photovoltaic materials.
- Lin-Yong Xu
- , Wei Wang
- & Jie Min
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Article
| Open AccessSustainable conversion of alkaline nitrate to ammonia at activities greater than 2 A cm−2
Alkaline nitrate electroreduction to ammonia is restricted by insufficient H+ supply. Here, the authors propose a halogen-mediated H+ feeding strategy, by triggering dangling O-H water dissociation and fast *H desorption for *NO intermediate hydrogenation, to enhance the formation of ammonia.
- Wanru Liao
- , Jun Wang
- & Min Liu
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Article
| Open AccessDisordered regions in proteusin peptides guide post-translational modification by a flavin-dependent RiPP brominase
Here the authors use NMR, SAXS and MD simulations to characterise the structure of proteusin peptides, which are atypically long RiPP substrates. They show a small, unstructured region in the proteusin leader is sufficient for its interaction with a halogenase that brominates the terminal tryptophan residue.
- Nguyet A. Nguyen
- , F. N. U. Vidya
- & Vinayak Agarwal
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Article
| Open AccessSolvation-property relationship of lithium-sulphur battery electrolytes
In the Li-S battery, a promising next-generation battery chemistry, electrolytes are vital because of solvated polysulfide species. Here, the authors investigate solvation-property relationships via the measurement of solvation free energy of the electrolytes, guiding advanced electrolyte design for Li-S batteries.
- Sang Cheol Kim
- , Xin Gao
- & Yi Cui
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Article
| Open AccessRobust links in photoactive covalent organic frameworks enable effective photocatalytic reactions under harsh conditions
The development of heterogeneous photocatalysts applicable under harsh conditions is challenging. Here the authors report the conversion of imine linkages into quinoline groups in triphenylamine incorporated photosensitive covalent organic frameworks to develop robust heterogeneous photocatalysts for photocatalytic applications in harsh conditions.
- Jia-Rui Wang
- , Kepeng Song
- & Yanli Zhao
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Article
| Open AccessAn integrated self-optimizing programmable chemical synthesis and reaction engine
A limitation of robotic platforms in chemistry is the lack of feedback loops to adjust the conditions in-operando. Here the authors present a dynamically programmable robotic system that uses sensors for real-time adaptation, achieving yield improvements in syntheses and discovering new molecules.
- Artem I. Leonov
- , Alexander J. S. Hammer
- & Leroy Cronin
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Article
| Open AccessNatural diversity screening, assay development, and characterization of nylon-6 enzymatic depolymerization
Polyamides (PAs) or nylons are types of plastics with wide applications, but due to their accumulation in the environment, strategies for their deconstruction are of interest. Here, the authors screen 40 potential nylon-hydrolyzing enzymes (nylonases) using a mass spectrometry-based approach and identify a thermostabilized N-terminal nucleophile hydrolase as the most promising for further development, as well as crucial targets for progressing PA6 enzymatic depolymerization.
- Elizabeth L. Bell
- , Gloria Rosetto
- & Gregg T. Beckham
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Article
| Open AccessAcidic media enables oxygen-tolerant electrosynthesis of multicarbon products from simulated flue gas
Direct electroreduction of dilute CO2 in flue gas streams is challenging due to the presence of O2 impurities. Here the authors demonstrate that an acidic electrolyte can overcome this challenge, enabling the generation of multicarbon products from simulated flue gas at reasonable rates.
- Meng Wang
- , Bingqing Wang
- & Yanwei Lum
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Article
| Open AccessMediating trade-off between activity and selectivity in alkynes semi-hydrogenation via a hydrophilic polar layer
The semi-hydrogenation of alkynes faces the trade-off between activity and selectivity due to undesirable over-hydrogenation. Here the authors report an efficient additive-free WO3-based single-atom Pd catalytic system with a vertical size effect of hydrogen spillover to mediate the trade-off between activity and selectivity.
- Jinqi Xiong
- , Shanjun Mao
- & Yong Wang
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Article
| Open AccessReaction engineering blocks ether cleavage for synthesizing chiral cyclic hemiacetals catalyzed by unspecific peroxygenase
Hemiacetal compounds are valuable building blocks in synthetic chemistry, but difficult to obtain by enzymatic synthesis. Here, the authors use reaction engineering of an immobilized unspecific peroxygenase from Agrocybe aegerita for selective C-H bond oxyfunctionalisation of environmentally significant cyclic ethers to chiral cyclic hemiacetals.
- Xiaofeng Han
- , Fuqiang Chen
- & Wuyuan Zhang
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Article
| Open AccessGenerating active metal/oxide reverse interfaces through coordinated migration of single atoms
Steam treatment transforms inactive Pd1/CeO2 catalyst into a highly reactive one by forming a Ce2O3-Pd nanoparticle interface. This domain interface is created by the coordinated migration of Ce and Pd atoms on the atom trapped Pd1/CeO2.
- Lina Zhang
- , Shaolong Wan
- & Haifeng Xiong
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Article
| Open AccessMelt-quenched carboxylate metal–organic framework glasses
Many MOFs feature carboxylate ligands with strong coordination bonds, hindering thermal melting. Here, authors present a meltable carboxylate MOF designed with a thermodynamically favored component.
- Minhyuk Kim
- , Hwa-Sub Lee
- & Hoi Ri Moon
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Article
| Open AccessHigh voltage electrolytes for lithium-ion batteries with micro-sized silicon anodes
Micro-sized silicon are promising anode materials due to low-cost and high-energy, yet their application is hindered by inaccessible electrolytes. Here, the authors report sulfolane-based electrolytes that form silicon-phobic interphases and enable high-voltage pouch cells to achieve superior cycle life.
- Ai-Min Li
- , Zeyi Wang
- & Chunsheng Wang
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Article
| Open AccessWater-stable boroxine structure with dynamic covalent bonds
Despite the structural significance of boroxines in different classes of materials, their applicability in aqueous media is limited by their hydrolytic instability. Here, the authors discovered a water-stable boroxine structure with excellent pH stability and water-compatible dynamic covalent bonds.
- Xiaopei Li
- , Yongjie Zhang
- & Guangyan Qing
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