Featured
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Article
| Open AccessThe nature of active sites for carbon dioxide electroreduction over oxide-derived copper catalysts
The active sites over oxide-derived copper (OD-Cu) catalysts for CO2 electroreduction are unclear. Here, the authors show atom-level product-specific active sites on OD-Cu surface models, where planar and convex square sites are responsible for ethylene while the step square site favours alcohols generation.
- Dongfang Cheng
- , Zhi-Jian Zhao
- & Jinlong Gong
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Article
| Open AccessWaveguide photoreactor enhances solar fuels photon utilization towards maximal optoelectronic – photocatalytic synergy
Concentrating photo-intensities on photocatalyst has diminishing returns. Here the authors show the catalyst on glass rod waveguide at optimal low intensity results in high efficiency in the gas phase reverse water gas shift reaction in an annular glass cylindrical rod photoreactor.
- Joel Y. Y. Loh
- , Abhinav Mohan
- & Nazir P. Kherani
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Article
| Open AccessFrom Ru-bda to Ru-bds: a step forward to highly efficient molecular water oxidation electrocatalysts under acidic and neutral conditions
Developing efficient molecular water oxidation catalysts for artificial photosynthesis is a challenging task. Here the authors introduce a ruthenium based complex with negatively charged sulfonate groups to effectively drive water oxidation under both acidic and neutral conditions.
- Jing Yang
- , Lei Wang
- & Licheng Sun
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Article
| Open AccessA structural polymer for highly efficient all-day passive radiative cooling
There still remains a big challenge in fabricating highly efficient and low-cost radiative coolers for all-day and all-climates. Here, the authors report a hierarchically structured polymethyl methacrylate film with a micropore array combined with random nanopores for highly efficient day- and nighttime passive radiative cooling.
- Tong Wang
- , Yi Wu
- & Limin Wu
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Article
| Open AccessA DNA origami-based aptamer nanoarray for potent and reversible anticoagulation in hemodialysis
Safe haemodialysis is essential for patients with acute kidney injury and renal failure. Here the authors present a DNA origami-based approach with high affinity and specificity to thrombin, inhibiting coagulation.
- Shuai Zhao
- , Run Tian
- & Baoquan Ding
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Article
| Open AccessCollective synthesis of acetylenic pharmaceuticals via enantioselective Nickel/Lewis acid-catalyzed propargylic alkylation
Chiral acetylenic derivatives are found in many bioactive compounds and are versatile building blocks in organic synthesis. Here, the authors report a mild enantioselective nickel/Lewis acid-catalyzed asymmetric propargylic substitution reaction which is applied to the collective synthesis of seven biologically active compounds.
- Xihao Chang
- , Jiayin Zhang
- & Chang Guo
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Article
| Open AccessPure non-local machine-learned density functional theory for electron correlation
Semilocal density functionals, while computationally efficient, do not account for non-local correlation. Here, the authors propose a machine-learning approach to DFT that leads to non-local and transferable functionals applicable to non-covalent, ionic and covalent interactions across system of different sizes.
- Johannes T. Margraf
- & Karsten Reuter
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Article
| Open AccessTailoring of a visible-light-absorbing biaxial ferroelectric towards broadband self-driven photodetection
2D lead-iodide ferroelectrics usually possess a wide bandgap along with the lacking of ferroelectric bulk photovoltaic effects due to the monolayered inorganic perovskite sheets. Here, the authors present a pathway to increase the thickness of inorganic sheets while retaining ferroelectricity.
- Shiguo Han
- , Maofan Li
- & Junhua Luo
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Article
| Open AccessThe power of electrified nanoconfinement for energising, controlling and observing long enzyme cascades
Multistep enzymatic reactions (cascades) can be achieved by confining enzymes in synthetic materials, but ways to simultaneously energize, control and observe the reactions in real time are lacking. Here, bidirectional interconversion between aspartate and pyruvate by a five enzyme cascade trapped in electrode nanopores, addressable by laptop commands, is demonstrated.
- Giorgio Morello
- , Clare F. Megarity
- & Fraser A. Armstrong
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Article
| Open AccessEngineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis
Nonribosomal lipopeptides contain an acyl chain important for bioactivity, but its incorporation into the peptidyl backbone, mediated by the starter condensation (Cs) domain of nonribosomal peptide synthases, is not fully understood. Here, the authors show that acyl chains of different lengths can be obtained by engineering Cs domains and identify residues that determine the selectivity for acyl chains.
- Lin Zhong
- , Xiaotong Diao
- & Xiaoying Bian
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Article
| Open AccessSelective filling of n-hexane in a tight nanopore
Molecular sieving typically occurs when molecules with smaller kinetic diameter than a nanopore selectively enter the pore. Here the authors show, using photoluminescence imaging and ab initio molecular dynamics simulations, that single-walled carbon nanotubes can separate n-hexane from cyclohexane, despite both having larger kinetic diameter than the nanopore.
- Haoran Qu
- , Archith Rayabharam
- & YuHuang Wang
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Article
| Open AccessUnraveling fundamental active units in carbon nitride for photocatalytic oxidation reactions
The acquisition of critical roles of each molecular constituent in carbon nitrides for photocatalysis remains elusive. Here the authors synthesize carbon nitrides with distinguishable units and reveal the roles of the different units in light absorption and charge separation.
- Chaofeng Huang
- , Yaping Wen
- & Yuanjian Zhang
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Article
| Open AccessIntegrating single-cobalt-site and electric field of boron nitride in dechlorination electrocatalysts by bioinspired design
Bridging the biocatalytic repertoire and the effective environmental remediation remains a great challenge. Here, inspired by the dehalogenases, the authors designed a single atom Co catalyst on carbon doped boron nitride that exhibits high stability and selectivity in dechlorination.
- Yuan Min
- , Xiao Zhou
- & Yuen Wu
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Article
| Open AccessStructures and reactivity of peroxy radicals and dimeric products revealed by online tandem mass spectrometry
Organic peroxy radicals play a pivotal role in producing highly oxygenated organic molecules but the formation mechanisms remain elusive. Here, the authors show in-situ characterization of peroxy radicals and dimer structures in the gas-phase, using online tandem mass spectrometry analyses.
- Sophie Tomaz
- , Dongyu Wang
- & Matthieu Riva
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Article
| Open AccessAccurate protein structure prediction with hydroxyl radical protein footprinting data
Mass spectrometry-based covalent labeling techniques such as hydroxyl radical protein footprinting (HRPF) provide information about protein tertiary structures. Here, the authors present a dynamics driven HRPF-guided algorithm for protein structure prediction that is incorporated in the Rosetta software suite and only requires the protein sequence and HRPF data as input and they demonstrate its successful application to four benchmark proteins.
- Sarah E. Biehn
- & Steffen Lindert
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Article
| Open AccessPervasive distribution of polyester fibres in the Arctic Ocean is driven by Atlantic inputs
Microplastics have spread across the globe and reached even the most remote locations, but an understanding of their origins remains largely elusive. Here the authors quantify and characterise microplastics across the North Pole, finding that synthetic fibers like polyester are dominant and likely sourced from the Atlantic Ocean.
- Peter S. Ross
- , Stephen Chastain
- & Bill Williams
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Article
| Open AccessPyroelectric nanoplates for reduction of CO2 to methanol driven by temperature-variation
CO2 is a problematic greenhouse gas, although its conversion to alternative fuels represents a promising approach to limit its long-term effects. Here, the authors demonstrate that CO2 can be reduced to methanol through pyroelectric catalysis under temperature variation near room temperature.
- Lingbo Xiao
- , Xiaoli Xu
- & Guifu Zou
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Article
| Open AccessSingle-layered organic photovoltaics with double cascading charge transport pathways: 18% efficiencies
Efficiency of organic solar cells is determined by the physical properties of donors and acceptors in bulk heterojunction film. The authors optimise quaternary blends to realize a double cascading energy level alignment enabling efficient carrier dissociation and transport, achieving 18% efficiency.
- Ming Zhang
- , Lei Zhu
- & Feng Liu
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Article
| Open AccessThe coupling and competition of crystallization and phase separation, correlating thermodynamics and kinetics in OPV morphology and performances
Designing efficient blue perovskite LEDs by using mixed halides perovskite is still a challenge, limited mainly by the phase segregation issue. Here, the authors demonstrate in situ fabrication of quasi-2D CsPbClBr2 nanocrystal films with mixed ligands to overcome the constraint.
- Zaiyu Wang
- , Ke Gao
- & Feng Liu
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Article
| Open AccessReducing the impact of Auger recombination in quasi-2D perovskite light-emitting diodes
Designing efficient perovskite light-emitting diodes remains a challenge due to the strong Auger recombination and resulting Joule heating. Here, the authors propose polarizable p-fluorophenethylammonium to generate quasi-2D perovskites with reduced binding energy developing perovskite light-emitting diodes with a peak EQE of 20.36% and a maximum luminance of 82,480 cdm-2.
- Yuanzhi Jiang
- , Minghuan Cui
- & Mingjian Yuan
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Article
| Open AccessIsolated copper single sites for high-performance electroreduction of carbon monoxide to multicarbon products
Electrochemical carbon monoxide reduction is a promising strategy to yield valuable multicarbon products but low selectivities and Faradaic efficiencies are common. Here the authors show single atom copper catalyst supported on MXene with high CO reduction performance and stability.
- Haihong Bao
- , Yuan Qiu
- & Xuping Sun
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Article
| Open AccessEfficient carbon dioxide hydrogenation to formic acid with buffering ionic liquids
Basic ionic liquids provide a buffering effect that enables the efficient synthesis of free formic acid from CO2 hydrogenation. Here, a highly efficient catalytic system that transforms CO2 to formic acid without the need of strong bases is demonstrated, avoiding the formation of formate salts.
- Andreas Weilhard
- , Stephen P. Argent
- & Victor Sans
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Article
| Open AccessSynthesis of arylamines and N-heterocycles by direct catalytic nitrogenation using N2
Ammonia and nitric acid are key platform chemicals to introduce nitrogen into organic molecules, however gaseous N2 would be a more direct and available source of nitrogen. Here, the authors report a direct catalytic nitrogenation to afford valuable arylamines and N-heterocycles from organohalides using dinitrogen (N2) as the nitrogen source.
- Kai Wang
- , Zi-Hao Deng
- & Zhang-Jie Shi
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Article
| Open AccessSelf-assembled organic nanomedicine enables ultrastable photo-to-heat converting theranostics in the second near-infrared biowindow
Organic agents with activity in the second near infrared region (NIR-II) are needed for precise treatment of cancer. Here, the authors develop boron difluoride formazanate nanosystem as a theranostic agent active in the NIR-II region for treating deep-seated hepatocellular carcinoma in mice.
- Huijing Xiang
- , Lingzhi Zhao
- & Yanli Zhao
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Article
| Open AccessReaction kinetics and interplay of two different surface states on hematite photoanodes for water oxidation
Detailed understanding of the reaction kinetics of the surface states of hematite photoanodes is crucial to improving their water oxidation performance. Here the authors reveal two dynamically interacting states which play a key part in the structure properties of these anodes.
- Jingguo Li
- , Wenchao Wan
- & Greta R. Patzke
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Article
| Open AccessExcited-state vibration-polariton transitions and dynamics in nitroprusside
Here the authors report spectroscopy and dynamics of cavity coupled NO band of sodium nitroprusside using 2D infrared and transient spectroscopy employing pump-probe technique. They find signatures of third-order nonlinearity, incoherent and strong coupling effects of vibrational polaritons.
- Andrea B. Grafton
- , Adam D. Dunkelberger
- & Jeffrey C. Owrutsky
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Article
| Open Access3D printing of inherently nanoporous polymers via polymerization-induced phase separation
3D printing offers flexibility in fabrication of polymer objects but fabrication of large polymer structures with micrometer-sized geometrical features are challenging. Here, the authors introduce a method combining advantages of 3D printing and polymerization-induced phase separation, which enables formation of 3D polymer structures with controllable inherent porosity.
- Zheqin Dong
- , Haijun Cui
- & Pavel A. Levkin
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Article
| Open AccessIn situ NMR reveals real-time nanocrystal growth evolution via monomer-attachment or particle-coalescence
Understanding nanocrystal growth pathways under their native fabrication environment remains a central goal of science. By synthesizing nanofluorides under in-situ NMR conditions, the authors are able to probe their sub-nm growth evolution, elucidating their formation by coalescence or monomer-attachment.
- Reut Mashiach
- , Haim Weissman
- & Amnon Bar-Shir
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Article
| Open AccessBiomimetic selenocystine based dynamic combinatorial chemistry for thiol-disulfide exchange
Thiol-disulfide exchange is an extensively used reversible reaction in dynamic combinatorial chemistry, but usually requires long time to reach equilibrium. Here, the authors employ selenocystine as a catalyst of thiol-disulfide exchange at low temperatures and basic pH, and show that it can promote disulfide bond formation during folding of a scrambled RNase A.
- Andrea Canal-Martín
- & Ruth Pérez-Fernández
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Article
| Open AccessCoulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials
High-level methods to describe van der Waals interactions are limited due to their computational cost. This work introduces a new theoretical approach, that extends the dipolar many-body dispersion formalism to higher-order contributions, demonstrated to be applicable to practically-relevant systems and nano-environments.
- Martin Stöhr
- , Mainak Sadhukhan
- & Alexandre Tkatchenko
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Article
| Open AccessThermocatalytic hydrogen peroxide generation and environmental disinfection by Bi2Te3 nanoplates
Temperature difference induced H2O2 generation by thermoelectric materials is an attractive strategy for environmental remediation purposes. Here the authors demonstrate Bi2Te3 nanoplates based antibacterial filter as an effective candidate for indoor disinfection applications.
- Yu-Jiung Lin
- , Imran Khan
- & Zong-Hong Lin
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Article
| Open AccessVisualising G-quadruplex DNA dynamics in live cells by fluorescence lifetime imaging microscopy
Direct observation of G-quadruplexes (G4s) in live cells is challenging. Here the authors report a method to identify G4s within the nuclei of live and fixed cells using a fluorescent probe combined with fluorescence lifetime imaging microscopy.
- Peter A. Summers
- , Benjamin W. Lewis
- & Ramon Vilar
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Article
| Open AccessFunction-oriented design of robust metal cocatalyst for photocatalytic hydrogen evolution on metal/titania composites
Photocatalytic performances require both active catalytic surfaces and efficient electron transfer steps. Here the authors introduce a function-oriented catalyst design strategy optimizing both aspects and generalize an effective electron transfer descriptor on metal/oxide catalysts.
- Dong Wang
- & Xue-Qing Gong
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Article
| Open AccessThioesterase-mediated side chain transesterification generates potent Gq signaling inhibitor FR900359
FR900359 (FR) is a Gq protein inhibitor depsipeptide isolated from an uncultivable plant endosymbiont and synthesized by non-ribosomal peptide synthetases. Here, the authors discover a cultivable bacterial FR producer and show that FrsA thioesterase domain catalyses intermolecular transesterification of the FR side chain to the depsipeptide core during biosynthesis, improving Gq inhibition properties.
- Cornelia Hermes
- , René Richarz
- & Max Crüsemann
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Article
| Open AccessSelective capture of carbon dioxide from hydrocarbons using a metal-organic framework
Metal-organic framework adsorbents are promising materials for gas separation and purification. Herein, the authors present a metal-organic framework that selectively captures CO2 over small hydrocarbons; this separation is relevant for the purification of natural gas and industrial feedstocks.
- Omid T. Qazvini
- , Ravichandar Babarao
- & Shane G. Telfer
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Article
| Open AccessEnhancing carbon dioxide gas-diffusion electrolysis by creating a hydrophobic catalyst microenvironment
The local environment for carbon dioxide electrochemical reduction is a key element to improve the efficiency of catalytic sites. Here, the authors demonstrate substantial gain of the catalyst electrochemical activity through the adoption of a hydrophobic catalyst microenvironment.
- Zhuo Xing
- , Lin Hu
- & Xiaofeng Feng
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Article
| Open AccessPotent DNA gyrase inhibitors bind asymmetrically to their target using symmetrical bifurcated halogen bonds
The mechanism of DNA gyrase inhibitor stabilization of single-strand DNA cleavage breaks by DNA gyrase has been hypothetical. Here, the authors show experimental evidence of the mechanism using a library of inhibitors with improved binding and employ crystal analysis to show bifurcated halogen bonding.
- Anja Kolarič
- , Thomas Germe
- & Marko Anderluh
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Article
| Open AccessHigh performance tandem organic solar cells via a strongly infrared-absorbing narrow bandgap acceptor
Development of tandem organic solar cells has been limited by the choice of near-infrared absorbing materials for the rear cell. Here, the authors report a simple strategy to extend the conjugation length of acceptor Y6 and broaden its absorption range to near-infrared region. A tandem organic solar cell with efficiency of 16.4% was achieved.
- Zhenrong Jia
- , Shucheng Qin
- & Yongfang Li
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Article
| Open AccessHydride-based antiperovskites with soft anionic sublattices as fast alkali ionic conductors
Oxide-based lithium/sodium-rich antiperovskites are regarded as promising solid electrolytes. Here, authors report a series of antiperovskites with a soft lattice containing hydride (H–) and chalcogenide (S2–, Se2–, Te2–) anions, enabling the fast Li+ /Na+ transport assisted by rotational phonon modes.
- Shenghan Gao
- , Thibault Broux
- & Hiroshi Kageyama
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Article
| Open AccessA flexible electron-blocking interfacial shield for dendrite-free solid lithium metal batteries
The high electronic conductivity of solid-state electrolytes leads to Li dendrite growth, thus hindering the commercialization of solid-state batteries. Here, the authors propose a flexible electron-blocking interface to protect garnet electrolytes from the electronic degradation.
- Hanyu Huo
- , Jian Gao
- & Xueliang Sun
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Article
| Open AccessStructure and dynamics of the drug-bound bacterial transporter EmrE in lipid bilayers
The small proton-coupled transporter EmrE confers multidrug resistance in bacteria. The structure of drug-bound EmrE in phospholipid bilayers is now determined using solid-state NMR. The structure provides detailed insights into the molecular mechanism of substrate recognition by this transporter.
- Alexander A. Shcherbakov
- , Grant Hisao
- & Mei Hong
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Article
| Open AccessCatalytic activity of graphene-covered non-noble metals governed by proton penetration in electrochemical hydrogen evolution reaction
Graphene-covering technology provides a promising approach for achieving a non-noble-metal-catalyst with corrosion protection and catalytic activity under acidic media. Here, the authors unveil that the electrochemical hydrogen evolution mechanism is governed by the proton penetration phenomenon.
- Kailong Hu
- , Tatsuhiko Ohto
- & Yoshikazu Ito
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Article
| Open AccessMicrobial production of multiple short-chain primary amines via retrobiosynthesis
Short-chain primary amines (SCPAs) are industrially important compounds that are commonly produced under harsh synthetic conditions. Here, the authors report a combination of retrobiosynthesis and precursor selection step for design of biosynthetic pathways leading to production of SCPAs, using valine decarboxylase-expressing Escherichia coli strains.
- Dong In Kim
- , Tong Un Chae
- & Sang Yup Lee
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Article
| Open Accessπ-Extended perylene diimide double-heterohelicenes as ambipolar organic semiconductors for broadband circularly polarized light detection
In organic semiconducting molecules materials, distorted π-systems enable strong coupling with circular polarized light while planar π-stacking systems are necessary for high charge-carrier mobility. Here, the authors address this dilemma by introducing a skeleton merging approach through distortion of a perylene diimide core with four fused heteroaromatics to form a π-extended double helicene.
- Li Zhang
- , Inho Song
- & Jianbin Lin
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Article
| Open AccessA four-electron Zn-I2 aqueous battery enabled by reversible I−/I2/I+ conversion
Electrochemically reversible redox couples that embrace more electron transfer at a higher potential are desired for high energy density batteries. Here, the authors report a four-electron aqueous zinc-iodine battery by boosting the iodine electrochemistry in deliberately designed electrolytes.
- Yiping Zou
- , Tingting Liu
- & Xiao Liang
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Article
| Open AccessConstructing multifunctional solid electrolyte interface via in-situ polymerization for dendrite-free and low N/P ratio lithium metal batteries
Stable solid electrolyte interface (SEI) is heavily investigated due to its role in improving lithium metal batteries. Here, the authors present a new strategy by employing electrolyte additives to construct stable multifunctional SEI via in situ anionic polymerization.
- Dan Luo
- , Lei Zheng
- & Xin Wang
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Article
| Open AccessAn efficient and stable solar flow battery enabled by a single-junction GaAs photoelectrode
Solar flow batteries (SFBs) can convert, store and release intermittent solar energy but have been built with complex multi-junction solar cells. Here an efficient and stable SFB is shown with single-junction GaAs solar cells via rational potential match modeling and operating condition optimization.
- Hui-Chun Fu
- , Wenjie Li
- & Song Jin
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Article
| Open AccessCatalytically potent and selective clusterzymes for modulation of neuroinflammation through single-atom substitutions
Artificial enzymes with reprogrammed and augmented catalytic activity and substrate selectivity have emerged to tackle limitations of noble metals or transition metal oxides. Here, the authors report Au25 clusterzymes which are endowed with high catalytic activity and selectivity in a range of enzyme-mimicking reactions.
- Haile Liu
- , Yonghui Li
- & Xiao-Dong Zhang
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Article
| Open AccessCrystallization-induced mechanofluorescence for visualization of polymer crystallization
Residual stress in crystalline polymers can lead to material failure, but currently methods which can quantify residual stress in such materials are lacking. Here, by using fluorescent-type mechanochromophores, the authors develop a method to visualize and quantify low degrees of stress that arises from micro-mechanical forces during polymer crystallization.
- Sota Kato
- , Shigeki Furukawa
- & Hideyuki Otsuka
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