Article 02 March 2024 | Open Access Modelling atomic and nanoscale structure in the silicon–oxygen system through active machine learning Understanding the silicon-oxygen system is crucial for various applications. Here, the authors present an interatomic potential covering a wide range of the Si-O configurational space and showcase applications to silica and Si-SiO2 interfaces. Linus C. Erhard, Jochen Rohrer & Volker L. Deringer Article 02 March 2024 | Open Access Extensive photochemical restructuring of molecule-metal surfaces under room light The nature of the molecule-metal interface is crucial for many technological applications. Here, the authors show that the photostability of the material can be sensitive to room light when coated with a single molecular layer, with implications for devices and processes. Chenyang Guo, Philip Benzie & Jeremy J. Baumberg Article 02 March 2024 | Open Access Influence of electric double layer rigidity on CO adsorption and electroreduction rate High-pressure infrared spectroscopy shows concentrated cations suppress CO adsorption. Here the authors report two electrochemical interfaces forming distinct double layer structures and reaction rates at elevating pressure and various potentials. Jiajie Hou, Bingjun Xu & Qi Lu Article 01 March 2024 | Open Access Modulation-free laser stabilization technique using integrated cavity-coupled Mach-Zehnder interferometer Stable lasers are crucial in many applications like sensing. Here, the authors demonstrate a laser frequency locking method that maintains performance, eliminates modulation, simplifies architecture, and enables miniaturization on a photonic chip. Mohamad Hossein Idjadi, Kwangwoong Kim & Nicolas K. Fontaine Article 01 March 2024 | Open Access On-surface cyclization of vinyl groups on poly-para-phenylene involving an unusual pentagon to hexagon transformation On-surface synthesis relies on carefully designed molecular precursors that are thermally activated to afford desired, covalently coupled architectures. Here, the authors study the intramolecular reactions of vinyl groups in a poly-para-phenylene-based model system and provide a comprehensive description of the reaction steps taking place on the Au(111) surface under ultrahigh vacuum conditions. Marco Di Giovannantonio, Zijie Qiu & Roman Fasel Article 01 March 2024 | Open Access Spatiotemporal control of photochromic upconversion through interfacial energy transfer Achieving spatiotemporal control of photochromic upconversion from a single lanthanide emitter remains challenging. Here, the authors present a conceptual model enabling such control of Er3+ photochromic upconversion via interfacial energy transfer in a core-shell nanostructure. Long Yan, Jinshu Huang & Bo Zhou Article 01 March 2024 | Open Access Dynamic control of DNA condensation Artificial biomolecular condensates are valuable tools to study the design principles of phase separation. Here, the authors demonstrate and characterize a model system of artificial DNA condensates whose kinetic formation and dissolution depends on DNA inputs that activate or deactivate the phase separating DNA subunits. Siddharth Agarwal, Dino Osmanovic & Elisa Franco Article 01 March 2024 | Open Access Voltage-based magnetization switching and reading in magnetoelectric spin-orbit nanodevices The authors realize voltage-based magnetization switching and reading in nanodevices at room temperature, through exchange coupling between multiferroic BiFeO3 and ferromagnetic CoFe, for writing, and spin-to-charge current conversion between CoFe and Pt, for reading. Diogo C. Vaz, Chia-Ching Lin & Fèlix Casanova Article 01 March 2024 | Open Access Competing itinerant and local spin interactions in kagome metal FeGe FeGe is a Kagome metal that exhibits a very rich array of magnetic and electronic phases. Here, using neutron scattering, Chen et al add to this zoo, by showing the emergence of a spin density wave order. Lebing Chen, Xiaokun Teng & Pengcheng Dai Article 01 March 2024 | Open Access Anharmonic strong-coupling effects at the origin of the charge density wave in CsV3Sb5 The origin of the charge density wave in vanadium antimonides has been widely debated. Here, the authors report the cooperation of electron-phonon and phonon-phonon coupling for the formation of the charge density wave in CsV3Sb5. Ge He, Leander Peis & Rudi Hackl Article 01 March 2024 | Open Access Superconductivity in a van der Waals layered quasicrystal Recent theoretical work has shown that quasicrystal (QC) superconductors should exhibit unconventional behaviors, such as vortex pinning without impurities and FFLO-like states. Here, Y. Tokumoto et al. report experimental observation of bulk superconductivity in Ta1.6Te, a van-der-Waals-layered QC with Tc = 1 K. Yuki Tokumoto, Kotaro Hamano & Keiichi Edagawa Article 01 March 2024 | Open Access A comprehensive transformer-based approach for high-accuracy gas adsorption predictions in metal-organic frameworks Three-dimensional representation learning is efficient in material science. Here, authors proposed a transformer-based framework for multi-purpose gas adsorption prediction. Predicted values correspond with the outcomes of adsorption experiments. Jingqi Wang, Jiapeng Liu & Diannan Lu Article 01 March 2024 | Open Access Sequence-dependent material properties of biomolecular condensates and their relation to dilute phase conformations How material properties affect the functional state of biocondensates is a long-standing question. Here the authors demonstrate how such properties are encoded in a disordered protein sequence and can be predicted from dilute phase conformations. Dinesh Sundaravadivelu Devarajan, Jiahui Wang & Jeetain Mittal Article 29 February 2024 | Open Access Dioxygen compatible electron donor-acceptor catalytic system and its enabled aerobic oxygenation The photochemical properties of Electron Donor-Acceptor (EDA) complexes present exciting opportunities, but often require an inert atmosphere to maintain high efficiency. Here, the authors develop a photocatalytic system through rational design, which overcomes the oxygen-sensitive limitation of traditional EDA photocatalytic systems. Jialiang Wei, Junhong Meng & Ning Jiao Article 29 February 2024 | Open Access Probing molecules in gas cells of subwavelength thickness with high frequency resolution Using gas cells for spectroscopic studies opens possibility for miniaturized platforms that can be integrated with other optical components. Here the authors demonstrate molecular rovibrational spectroscopy by confining molecules in a cell of subwavelength thickness. Guadalupe Garcia Arellano, Joao Carlos de Aquino Carvalho & Athanasios Laliotis Article 29 February 2024 | Open Access Dimethyl sulfate and diisopropyl sulfate as practical and versatile O-sulfation reagents O-Sulfation is a vital post-translational modification in bioactive molecules, yet there are significant challenges for the synthesis. Here, the authors report a general and robust approach to O-sulfation by harnessing the tunable reactivity of dimethyl sulfate or diisopropyl sulfate under tetrabutylammonium bisulfate activation. Shuaishuai Yue, Guoping Ding & Jiakun Li Article 29 February 2024 | Open Access Charging modulation of the pyridine nitrogen of covalent organic frameworks for promoting oxygen reduction reaction The catalytic efficacy of covalent organic frameworks (COFs) is constrained by their restricted electro-transfer capability and weak binding affinities for reaction intermediates. Here the authors report COFs with various pyridinic-based units for tuning their catalytic activity towards oxygen reduction reaction. Xiubei Yang, Qizheng An & Gaofeng Zeng Article 29 February 2024 | Open Access Coherent control of enhanced second-harmonic generation in a plasmonic nanocircuit using a transition metal dichalcogenide monolayer Here, the authors integrate monolayer MoSe2 with a plasmonic nanocircuit and demonstrate the coherent selective routing of the enhanced nonlinear optical signal emitted by the 2D semiconductor, with routing extinction ratios up to 14.86 dB. Pei-Yuan Wu, Wei-Qing Lee & Chen-Bin Huang Article 29 February 2024 | Open Access Scalable production of structurally colored composite films by shearing supramolecular composites of polymers and colloids Structurally coloured composite films are flexible optical materials with potential in a range of applications, but their production is impacted by long time-frames and limited materials. Here, the authors report a method for the production of large scale films by shearing supramolecular composites. Miaomiao Li, Bolun Peng & Jintao Zhu Article 29 February 2024 | Open Access General alkyl fluoride functionalization via short-lived carbocation-organozincate ion pairs Many alkyl fluorides are readily available, but the synthetic applications trail behind the widely accepted utility of other halides. Here, the authors report a practical Csp3-F bond functionalization method that expands the currently restricted synthetic space of unactivated C(sp3)-F bonds, but also uses benzylic, propargylic and acyl fluorides. D. Lucas Kane, Bryan C. Figula & Christian Wolf Article 29 February 2024 | Open Access Learning stochastic dynamics and predicting emergent behavior using transformers Learning the dynamics governing a simulation or experiment usually requires coarse graining or projection, as the number of transition rates typically grows exponentially with system size. The authors show that transformers, neural networks introduced initially for natural language processing, can be used to parameterize the dynamics of large systems without coarse graining. Corneel Casert, Isaac Tamblyn & Stephen Whitelam Article 29 February 2024 | Open Access Electron/infrared-phonon coupling in ABC trilayer graphene Via Raman and infrared spectroscopy measurements, X. Zan et al. find that rhombohedral ABC trilayer graphene has stronger electron/infrared-phonon coupling than Bernal ABA trilayer graphene. Xiaozhou Zan, Xiangdong Guo & Guangyu Zhang Article 29 February 2024 | Open Access Ferromagnetism on an atom-thick & extended 2D metal-organic coordination network Despite having all the ingredients required for the formation of two-dimensional ferromagnetism, achieving such a magnetic state in atomically thin metal-organic coordination networks has proved to be a persistent challenge. Here, Lobo-Checa et al demonstrate 2Dferromagnetism in a self-assembled network, exhibiting coercive fields over 2 Tesla and a Curie temperature of 35K. Jorge Lobo-Checa, Leyre Hernández-López & Fernando Bartolomé Article 29 February 2024 | Open Access Mesoporous nanoperforators as membranolytic agents via nano- and molecular-scale multi-patterning Plasma membrane lysis is an effective anticancer strategy that mostly relies on soluble molecular membranolytic agents, while nanomaterial-based membranolytic agents have been unexplored. Herein, the authors report a nano- and molecular-scale multi-patterning strategy for fabricating mesoporous membranolytic nanoperforators with an intrinsic membranolytic activity. Yannan Yang, Shiwei Chen & Chengzhong Yu Article 29 February 2024 | Open Access Magnetically driven capsules with multimodal response and multifunctionality for biomedical applications Untethered capsules exhibit clinical promise for diagnosing and treating gastrointestinal diseases. Here, the authors develop small-scale magnetically driven capsules featuring a distinct magnetic soft valve, integrating multiple functional and motion modalities for biomedical applications. Yuxuan Sun, Wang Zhang & Liang Li Article 29 February 2024 | Open Access Electrofreezing of liquid water at ambient conditions By performing long ab initio molecular dynamics simulations of water under external electric fields, for up to 500 picoseconds, the authors identify a transition to a ferroelectric amorphous phase at ambient conditions. Giuseppe Cassone & Fausto Martelli Article 29 February 2024 | Open Access Crystallization of piezoceramic films on glass via flash lamp annealing Direct growth of piezoelectric oxides on glass is difficult due to high processing temperatures. Here, the authors demonstrate a flash lamp process for the growth of films on various glasses in a few seconds only. The films have piezoelectric e33,f of −5 C m−2 and can be used in haptic devices. Longfei Song, Juliette Cardoletti & Sebastjan Glinšek Article 29 February 2024 | Open Access Boosting exciton mobility approaching Mott-Ioffe-Regel limit in Ruddlesden−Popper perovskites by anchoring the organic cation Exciton transport in 2D Ruddlesden−Popper perovskite plays a key role for their optoelectronic performance. Here, authors significantly enhance free exciton mobilities in exfoliated thin flakes by anchoring butyl ammonium cation with polymethyl methacrylate, which also improves lattice rigidity. Yiyang Gong, Shuai Yue & Xinfeng Liu Article 29 February 2024 | Open Access Simultaneous enhancement of strength and conductivity via self-assembled lamellar architecture Simultaneous increase of mechanical and physical properties is highly desirable, but challenging for bimetallic materials. Here, the authors use W-Cu as an example to achieve both high strength and conductivity of the bimetal with a large plasticity by a self-assembled lamellar architecture. Tielong Han, Chao Hou & Xiaoyan Song Article 29 February 2024 | Open Access Empirical data drift detection experiments on real-world medical imaging data Data drift is the systematic change in the underlying distribution of input features in prediction models, and can cause deterioration in model performance. Here, the authors highlight the importance of detecting data drift in clinical settings and evaluate methods for detecting drift in medical image data. Ali Kore, Elyar Abbasi Bavil & Mohamed Abdalla Article 29 February 2024 | Open Access OrthoID: profiling dynamic proteomes through time and space using mutually orthogonal chemical tools Proteomics at the organelle contact site remains challenging due to the spatial and temporal dynamics of proteins. Here, the authors developed OrthoID, a mutually orthogonal dual enzymatic proteomics approach to explore the proteome at the contact site of the endoplasmic reticulum and mitochondria. Ara Lee, Gihyun Sung & Kimoon Kim Article 29 February 2024 | Open Access High-throughput barcoding of nanoparticles identifies cationic, degradable lipid-like materials for mRNA delivery to the lungs in female preclinical models Identifying pulmonary delivery of lipid libraries poses an obstacle for mRNA drugs. Here, the authors use a barcoded screening system to identify lung-targeting of cationic, degradable lipid-like materials for mRNA delivery and gene editing in female preclinical models. Lulu Xue, Alex G. Hamilton & Michael J. Mitchell Article 28 February 2024 | Open Access Disentangling the multiorbital contributions of excitons by photoemission exciton tomography Understanding excitonic optical excitations is integral to improving optoelectronic and photovoltaic semiconductor devices. Here, Bennecke et al. use photoemission exciton tomography to unravel the multiorbital electron and hole contributions of entangled excitonic states in the prototypical organic semiconductor C60. Wiebke Bennecke, Andreas Windischbacher & Stefan Mathias Article 28 February 2024 | Open Access Mode-multiplexing deep-strong light-matter coupling The authors show an original approach to achieve strong light-matter interaction harnessing the coupling between plasmonic resonators and the Landau resonances of an underlying quantum well, demonstrating remarkably high coupling strengths. Joshua Mornhinweg, Laura Katharina Diebel & Christoph Lange Article 28 February 2024 | Open Access Field-free spin–orbit torque switching in ferromagnetic trilayers at sub-ns timescales Magnetic random access memory current uses spin transfer torque for switching, which limits the speed of switching operation, and the number of times the device can be switched before failure. Here, Yang et al. demonstrate field free switching using spin-orbit torque offering a pathway to overcome these limitations. Qu Yang, Donghyeon Han & Hyunsoo Yang Article 28 February 2024 | Open Access Single-atom tailored atomically-precise nanoclusters for enhanced electrochemical reduction of CO2-to-CO activity Tailoring catalytic performance of atomically-precise metal nanoclusters catalysts is of great interest but remains challenging. Here, the authors report a co-eletropolymerization strategy to modify well-defined Au8 nanoclusters by single-atom sites to enhance its electrocatalytic activity for the reduction of CO2 towards CO. Yi-Man Wang, Fang-Qin Yan & Shuang-Quan Zang Article 28 February 2024 | Open Access Zirconium and hafnium catalyzed C–C single bond hydroboration Selective cleavage and subsequent functionalization of C−C single bonds present a fundamental challenge, and the use of inexpensive and Earth-abundant group IV metals for catalytic C−C single-bond cleavage is largely underdeveloped. Here, the authors report zirconium-catalyzed C−C single-bond cleavage and subsequent hydroboration reactions. Sida Li, Haijun Jiao & Lipeng Wu Article 28 February 2024 | Open Access Tuning light-driven oxidation of styrene inside water-soluble nanocages Selective functionalization of C(sp2)–H bonds under ambient conditions is a persistent synthetic challenge in organic chemistry. Here the authors combine host-guest charge-transfer-based photoredox chemistry with supramolecular nano-confinement to achieve selective carbonylation of styrene by tuning the dioxygen concentration. Souvik Ghosal, Ankita Das & Jyotishman Dasgupta Article 28 February 2024 | Open Access Continuous strain tuning of oxygen evolution catalysts with anisotropic thermal expansion Tuning compressive strain is an effective way to accelerate the oxygen evolution reaction kinetics. Here the authors show that anisotropic thermal expansion induces compressive strains on IrO6 octahedron in Sr2IrO4, shifting its d-band center downward and accelerating water oxidation kinetics beyond traditional thermal diffusion effects. Yu Du, Fakang Xie & Zhigang Zou Article 28 February 2024 | Open Access Mirror-image ligand discovery enabled by single-shot fast-flow synthesis of D-proteins Mirror-image phage display has the potential for high-throughput generation of biologically stable macrocyclic D-peptide binders but is hindered by the optimization required for D-protein chemical synthesis. Here, the authors report a general mirror-image phage display pipeline based on automated flow peptide synthesis and use it to prepare and characterize 12 L/D-protein pairs. Alex J. Callahan, Satish Gandhesiri & Bradley L. Pentelute Article 28 February 2024 | Open Access Learning the intrinsic dynamics of spatio-temporal processes through Latent Dynamics Networks Predicting the evolution of dynamical systems remains challenging, requiring high computational effort or effective reduction of the system into a low-dimensional space. Here, the authors present a data-driven approach for predicting the evolution of systems exhibiting spatiotemporal dynamics in response to external input signals. Francesco Regazzoni, Stefano Pagani & Alfio Quarteroni Article 28 February 2024 | Open Access Supernova dust destruction in the magnetized turbulent ISM The interstellar medium (ISM) is critical to galaxy evolution. Here, the authors show dust processing modelling applied to magnetohydrodynamic simulations to explicitly follow dust destruction by the combined effects of grain-grain collisions and ion-sputtering induced by a supernova blast wave in a turbulent multiphase, magnetized ISM. Florian Kirchschlager, Lars Mattsson & Frederick A. Gent Article 28 February 2024 | Open Access Epitaxy of wafer-scale single-crystal MoS2 monolayer via buffer layer control 2D MoS2 is being intensively investigated as a promising candidate to extend the downscaling of electronic devices. Here, the authors report a buffer-layer-control method for the growth of wafer-scale single-crystalline MoS2 monolayers on industry-compatible sapphire substrates with competitive optical and electronic properties. Lu Li, Qinqin Wang & Guangyu Zhang Article 28 February 2024 | Open Access Understanding activity-stability tradeoffs in biocatalysts by enzyme proximity sequencing Understanding the complex relationships between enzyme sequence, folding stability and catalytic activity is essential for applications, but current technologies cannot simultaneously resolve both stability and activity phenotypes and couple these to gene sequences at large scale. Here, the authors report Enzyme Proximity Sequencing (EP-Seq), a deep mutational scanning method to assay both expression level and catalytic activity of thousands of oxidoreductase variants from a cellular pool in a single experiment. Rosario Vanella, Christoph Küng & Michael A. Nash Article 28 February 2024 | Open Access Wide-field mid-infrared hyperspectral imaging beyond video rate Mid-infrared hyperspectral imaging is valuable for sample characterisation but suffers limited scanning rates. The authors develop such an imaging system based on parametric upconversion of supercontinuum illumination in the Fourier plane, enabling a 100-Hz acquisition rate of spectral datacubes. Jianan Fang, Kun Huang & Heping Zeng Article 28 February 2024 | Open Access Rational molecular and device design enables organic solar cells approaching 20% efficiency A systematic design of light-absorbing molecules is challenging for them to satisfy multiple key requirements for efficient solar cell application. Here, the authors optimize halogen substitution position in terminal groups of acceptors for realizing ternary cells with efficiency approaching 20%. Jiehao Fu, Qianguang Yang & Gang Li Article 28 February 2024 | Open Access Synthesis and superconductivity in yttrium-cerium hydrides at high pressures The field of hydride superconductivity is currently attempting to increase the critical temperature Tc, while also lowering the required stabilization pressure. Here, L.C. Chen et al. study (Y,Ce)H9 alloys and find maximum Tc ~ 140 K at 130 GPa pressure. Liu-Cheng Chen, Tao Luo & Xiao-Jia Chen Article 28 February 2024 | Open Access Resonant generation of propagating second-harmonic spin waves in nano-waveguides Spin waves in magnetic nanosystems offer a potential platform for wave-based signal processing and computing, with a variety of advantages compared to optical approaches. Herein, the authors demonstrate resonant phase matched generation of second harmonic spin waves, enabling the generation of short wavelength spin waves that are otherwise difficult to directly excite. K. O. Nikolaev, S. R. Lake & V. E. Demidov Article 28 February 2024 | Open Access Low pressure reversibly driving colossal barocaloric effect in two-dimensional vdW alkylammonium halides The authors report the colossal barocaloric effect driven reversibly by low pressure in two dimensional van-der-Waals alkylammonium halides, underlyingly from the disordering of the organic alkyl chains within the two-dimensional structure. Yi-Hong Gao, Dong-Hui Wang & Bao-Gen Shen Perspective 28 February 2024 | Open Access Cellular reprogramming as a tool to model human aging in a dish The development of human cellular models of aging that surpass the limitations of animal models of aging is urgent. Here, the authors explore the opportunities and limitations of cellular reprogramming to create reliable aging in vitro models and their potential for the discovery of anti-aging compounds. Patricia R. Pitrez, Luis M. Monteiro & Lino Ferreira