Beijing National Laboratory for Molecular Sciences

High mobility narrowband-emissive organic semiconductors

This work proposes a synergistic control strategy of molecular packing and transition dipole moment orientation for achieving high mobility narrowband-emissive organic semiconductors.

Scalable Patterning of Organic Electrochemical Transistors for Logic Gates and Neuromorphic Computing

ABSTRACT Organic electrochemical transistors (OECTs) are promising building blocks for bioelectronics owing to their efficient ion–electron coupling, soft‐material compatibility and high transconductance. However, their large off‐state currents and poor scalability have so far li...

Structure‐Property Engineering in Ag 23 Nanoclusters for Electrocatalytic Nitrate Reduction

ABSTRACT Electrocatalytic nitrate reduction reaction (NO 3 RR) provides a sustainable pathway for ambient ammonia synthesis; however, achieving concurrent high activity, high selectivity and appropriate stability of catalysts remains a substantial challenge. Here we report the sy...

JustEvo: A Prior-Guided Adaptive Mixture-of-Experts Framework for Multifunctional Protein Directed Evolution

Abstract Machine-learning-guided directed evolution can reduce the experimental burden of protein engineering by prioritizing variants before they are tested. In practice, however, many campaigns begin with few or no target-specific measurements, face choices about how to use het...

Hydrolysis of 1,4‐Butanediol‐Derived Polyesters Into Tetrahydrofuran and Dicarboxylic Acids Over Lewis Acidic Ionic Liquids

Chemical transformation of discarded polyesters into high‐value chemicals is of great significance for advancing circular economy and sustainable development. Herein, we report a facile and efficient strategy for one‐pot conversion of 1,4‐butanediol‐based polyesters (BDPs) via eq...

Metal-organic frameworks for separation of organic compounds in liquid phase

Abstract Liquid-phase separation underpins numerous sectors of modern chemical industry, yet achieving high selectivity for separation of mixtures of organic compounds remains a persistent challenge. Metal-organic frameworks (MOFs), showing exceptional tunability in composition,...

MIMAS: An open-source microlens-array miniature microscope for accessible large-field cortical imaging in freely behaving mice

Large-scale cortical dynamics during natural behavior are difficult to measure because head-mounted imaging systems must balance field of view, spatial resolution, weight, and optical complexity. Existing wide-field miniature microscopes often rely on compound or custom-corrected...

Water‐Mediated Reversible Crystalline Phase Transformation Enables Color Switching and Circularly Polarized Luminescence Handedness Inversion

ABSTRACT Stimuli‐responsive circularly polarized luminescence (CPL) modulation is highly sought for adaptive chiroptical systems, yet achieving reversible CPL handedness inversion in crystalline solids remains challenging. Here, we report organic ionic crystals composed of lumine...

Strengthening Constitutive Motifs in Isotropic Fibrous Hydrogel for Exceptional Damage Resistance

ABSTRACT Super damage resistance requires high fracture energy in all directions, therefore, although fibrous hydrogels have demonstrated impressive reinforcing effects, their anisotropic nature usually prevents them from performing well. In this work, we propose a strategy to re...

Synergistic Interfacial and Bulk Modulation via Mixed Organic Phosphate Additives for Highly Stable Aqueous Zinc‐Ion Batteries

The practical application of aqueous zinc‐ion batteries (AZIBs) is severely limited by water‐induced issues, such as hydrogen evolution reaction, Zn metal corrosion, and cathode dissolution. To simultaneously stabilize the Zn anode and the NaV 3 O 8 (NVO) cathode, we propose a sy...

Control of ice thickness in cryo-EM via confinement

Achieving thin ice with optimal thickness is a prerequisite for successful cryo-EM analysis of embedded macromolecules. Despite decades of effort, precise control of ice thickness in cryo-EM remains a major challenge. Here we reveal that the intrinsic instability of sub-100-nm li...

Random Copolymer Acceptors for Efficient Small-Molecule Donor/Polymer Acceptor Organic Solar Cells

Abstract Small-molecule donor/polymer acceptor (SD/PA) organic solar cells (OSCs) are attractive for their morphological stability, yet their efficiencies still lag behind those of mainstream systems. One key difficulty is that the acceptor must aggregate strongly enough to form...

Aromaticity Regulation in Isostructural Metal‐Organic Frameworks for Propyne Storage and Propylene Purification

ABSTRACT We report the exceptional propyne (C 3 H 4 ) storage and propylene (C 3 H 6 ) purification in a metal‐organic framework, PKU‐101, controlled via regulation of aromaticity. The pyrene‐fused pore interior of PKU‐101 provides multiple C─H···π interactions for alkyne, result...

Electrochemically Enabled Self‐Intercalation for Symmetry Breaking and Metallic Ferroelectricity in Nb 1+x S 2

ABSTRACT Two‐dimensional (2D) metallic materials that simultaneously exhibit inversion symmetry breaking are highly desirable for nonlinear optics, unconventional ferroelectrics, and symmetry‐driven electronic functionalities, yet controllably inducing structural asymmetry withou...

Universal synthesis of high-entropy alloy nanostructures with femtosecond lasers

High-entropy alloy nanostructures (HEA-NSs) hold promise in advanced catalysis and materials science, but lack a robust and universal synthetic strategy designed at an atomic level. Here, femtosecond lasers are used to prepare HEA-NSs, from single atoms to 100 nm nanoparticles, e...

Pronounced effect of cycloalkyl substituents in Bis(imino)pyridine cobalt catalysts for high 1-hexene selectivity in propylene oligomerization

Bis(imino)pyridine cobalt catalysts offer a tunable platform for selective propylene oligomerization to linear α-olefins, yet the interplay between steric and electronic effects remains incompletely understood. This work systematically modulates the steric environment via cycloal...

The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project

Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic-structure theory and quantum chemical method development. This article reviews the major advances since the previous overview in...

Ambient‐Pressure Polyolefin Upcycling With Earth‐Abundant Catalyst

ABSTRACT Polyolefin hydrogenolysis offers a promising route for the upcycling of plastic waste, yet is hindered by the high cost of noble‐metal catalysts and the safety concerns of high‐pressure H 2 . Current systems typically rely on Ru or Pt catalysts to mediate key elementary...

Directed evolution of Lantern enables rapid RNA and protein proximity labeling

In eukaryotic cells, the precise spatial localization of RNAs and proteins is essential for proper cellular function. Genetically encoded photocatalytic proximity labeling techniques have expanded our ability to map subcellular proteomes and transcriptomes, but their temporal res...

A Li metal-SiO x hybrid anode enabling synergistic plating/alloying dual-mechanism lithium storage

Balancing specific energy and cycle durability remains a critical challenge for practical battery systems, as conventional single-mechanism anodes struggle to optimize both simultaneously. Here, we engineer a symbiotic Li-SiO x hybrid anode enabling spatiotemporally coordinated L...