Publications

Efficient machine learning prediction of solvent- dependent 1H NMR chemical shifts in zinc complexes

Interface stability and kinetics of sulfide electrolytes in all-solid-state batteries

Carboxylic acid α-end-functionalized poly(2-oxazoline)s synthesized through benzylic CROP initiators

Self-nitriding nanostructured transition metal nitrides in architected-carbon matrices: Unveiling mechanisms and advancing performance in lithium-sulfur pouch cells

Unlocking large-area free-standing MOF-glasses for molecular sieving gas separation membranes

Unraveling charging and discharging processes in organic radical-based electrodes: A hierarchical molecular and quantum mechanical approach

POx-lipids as an alternative to PEG-lipids? Multimethod assessment of chemistry and structure

Investigation of the dynamic behavior of metallopolymers by combined experimental and theoretical methods

Insights into overall photocatalytic water splitting through simultaneous in situ H2 and O2 measurements

Investigation of covalent adaptable networks (CANs) based on dynamic acylhydrazone bonds featuring shape-memory ability

Design of tuneable, biocompatible anionic polymers by l-norvaline amino acid post-polymerisation modification of pentafluorophenyl acrylate copolymers

Local environmental effects on light-driven CO2 reduction in liposomes

Triggered dissolution of electrostatically crosslinked hydrogels from star-shaped polyampholytic block copolymers

Toward sustainable sodium-ion capacitors: Investigating imide-based electrolytes for enhanced performance and environmental safety

Atomistic insights into structure and properties of ε-caprolactone oligomers

Engineering carbon nitride quantum dots via sulfur doping for controlled reactive oxygen species generation

2D/2D heterojunction interfaces of 1T-MoS2 and Ti3C2 MXene: designing high-performance catalyst for the hydrogen evolution reaction

Crystal phase dominance over structural confinement of ZrO2 for enhanced polysulfide immobilization in lithium–sulfur batteries

General-purpose models for the chemical sciences: LLMs and beyond

In situ polymerization for high performance solid-state lithium-sulfur batteries

Structure-aware machine learning for polymers: A hierarchical graph network for predicting properties from statistical ensembles

Stepwise synthesis of symmetric and asymmetric Anderson–polyoxometalates for light-driven hydrogen evolution

Nanosized Li₂S-loaded polar porous carbon nanofibers as self-supporting electrodes in anode-free lithium–sulfur batteries

Predicting acetalated dextran nanoparticle features: Controlled synthesis, formulation, and testing in a high-throughput process

Novel functional materials via 3D printing by vat photopolymerization

Compensating thickness effects in micro X-ray fluorescence spectroscopy using integrated optical microscopy for thickness determination of soft matter block copolymer membranes

Enhancing the capacitance of poly(heptazine imide) electrodes in aqueous electrolytes via hybrid material design

Matching drug and polymer for efficient delivery of anti-inflammatory drugs: PLGA, polyesteramides, and acetalated dextran

UV-polymerized composite ionogels for Li–organic batteries

Amino acid-equipped poly(ester amide) nanoparticles for improved encapsulation efficiency of lipophilic anti-inflammatory 6BIGOE based on molecular dynamics simulations

High-performance phthalonitrile resins partially derived from a furan bio-based chemical platform

Inducing hard carbon-like sodium storage behavior in graphitizable carbon via post-synthetic introduction of closed porosity

PolyMetriX: An ecosystem for digital polymer chemistry

The Zr₈O₆ secondary building unit and porphyrin linker catalyze light-driven H₂ evolution in porphyrin-based metal–organic frameworks

Visualizing the dynamic wetting and redistribution of electrolyte in lean-electrolyte lithium–sulfur pouch cells via operando neutron imaging

Unveiling the knowledge of a RAFT polymerization database obtained from an automated parallel synthesizer

Understanding the interplay between pore structure and ionic liquid interaction on the gas uptake of microporous carbons

Sustainable APTES-modified nano-TiO₂/PVA composite nanofibrous separators for thermally stable lithium-ion batteries

Selective light-driven CO₂ to CO reduction by a [FeFe]-hydrogenase mimic in water

Resolving dye embedment in MOF-5: Multimodal evidence for perylene-based guest encapsulation

Real AI advances require collaboration

Probing weak chemical interactions of metal surface atoms with CO-terminated AFM tips identifies molecular adsorption sites

PRIAMOS: A technique for mixing embedding media for freely adjusting pH value and refractive index (RI) for optical clearing (OC) of whole tissue samples

Post-processing strengthened 3D artificial fingertip with multi-intensity pain perception

Perspective on artificial intelligence for accelerated materials design (AI4Mat) workshops in 2024

Novel dopamine-containing gel polymer electrolytes for Li–organic batteries

Nitrile groups as built-in molecular sensors for interfacial effects at electrocatalytically active carbon–nitrogen materials

Mn²⁺ and [Ru(bpy)₃]²⁺ in UiO-67 metal–organic frameworks enhance photocatalytic oxidation of benzylamine via an electron transfer pathway

Melem–perylene diimide polymer network as efficient positive electrode for rechargeable lithium and magnesium batteries

Long-term cycling stability of sodium/sodium-ion cells probed by in situ solid-state NMR spectroscopy

Lessons from the trenches on evaluating machine learning systems in materials science

Interfacial co-operativity enables ultrafast charge transfer within the Co–Fe Prussian blue analogue | ZnO heterostructure

Exploring the influence of metal incorporation and porosity optimization on the H₂O₂ production efficiency of templated poly(heptazine imides)

Enhancing CoFe catalysts with V₂CTₓ MXene-derived materials for anion exchange membrane electrolyzers

Engineering porous hollow metal–poly(heptazine imide) spheres: An optimized synthetic strategy for controlling surface, morphology, and properties

Direct DLP-based 3D printing of metallopolymers featuring shape-memory abilities

Controlling the structural and sodium storage properties of glucose-derived hard carbons using the pre-carbonization heating rate

Controlling and understanding the impact of closed pore size on sodium storage in hard carbons via controlled pyrolysis of molecular precursors

Fluorine-free ion exchange membranes for (photo)electrochemical applications

CAU-63, an ultramicroporous Al–MOF with a honeycomb-shaped 2D IBU

Lignin-derived free-standing sulfur host functionalized with MoS₂ for Li–S batteries

Ammonia-tolerant alkaline oxygen reduction reaction on bimetallic cobalt spinels

First-principles studies on the structure and stability of the solid electrolyte interphase with LiPON in solid-state batteries

Enhanced and durable light-driven hydrogen evolution by cobalt-based Prussian blue analogs in phospholipid bilayers

Making the negative positive – fluorination of indole as an efficient strategy to improve guanidinium-containing gene carriers

Poly(2-ethyl-2-oxazoline) (POx) as poly(ethylene glycol) (PEG)–lipid substitute for lipid nanoparticle formulations

Multifunctional chitosan–covalently bonded multi-walled carbon nanotubes composite binder for enhanced electrochemical performance of lithium–sulfur batteries

A radical-cationic covalent organic framework to accelerate polysulfide conversion for long-durable lithium–sulfur batteries

3D-printed microfluidic dialysis apparatus for efficient polymer purification

Probing the limitations of multimodal language models for chemistry and materials research

Amorphous metal–organic framework-coated halloysite nanotubes as efficient sulfur immobilizers for lithium–sulfur batteries

A framework for evaluating the chemical knowledge and reasoning abilities of large language models against the expertise of chemists

The effect of pore functionality in multicomponent covalent organic frameworks on stable long-term photocatalytic H₂ production

Photoinduced electron transfer across phospholipid bilayers in anaerobic and aerobic atmospheres

Photopolymerized gel polymer electrolytes with cyclic carbonate side chains for Li–organic batteries at room temperature

Prospective life cycle assessment of organic redox flow batteries

Pyridinium–benzoxazole-based anode material for sustainable all-organic polymer-based batteries

Mild oxidation of plant polyphenols yields modular nanoparticle-forming materials with drug loading capabilities

Assessment of fine-tuned large language models for real-world chemistry and materials science applications

Tailoring cationic poly(2-oxazoline)s: minimizing toxicity and immunogenic response for biological applications

Light-driven electron transfer in a lipid bilayer with mixed-valence molecular wires

Design and manufacture of structure–function integrated carbon fiber reinforced plastics for composite construction

From text to insight: Large language models for chemical data extraction

Automated investigation of metal–ligand interactions by a newly established robotic workflow for titrations

Synthesis of nitrogen-doped carbon nanotubes from biomass polysaccharides and lignin in waste corn stalk as host materials for lithium-sulfur batteries

Ideal molecular sieving with a dense MOF for helium upgrading using highly diffusion-selective mixed matrix membranes

Self-healing behavior of metallopolymers in complex 3D-structures obtained by DLP-based 3D-printing

Impact of nitrogen functionalization and porosity on the electrosorption of ionic liquids on templated porous carbons

Filling the gaps: Introducing plasticizers into π-conjugated OPE-NH₂ Langmuir layers for defect-free anisotropic interfaces and membranes toward unidirectional mass, charge, or energy transfer

Dual orthogonal metal complexes and their utilization for the versatile fabrication of smart interpenetrating polymer networks

Supramolecular polymer bottlebrushes: in situ assessment of noncovalent assemblies in human serum by analytical ultracentrifugation

3D-printable polymer filters for the selective complexation of silver ions

Synthesis of poly(itaconate)s with high monomer conversion applying emulsion polymerization

Tailor-made polymer tracers reveal the role of clay minerals on colloidal transport in carbonate media

A water-soluble copolymer for storage and electron conversion in photocatalytic on-demand hydrogen evolution

On-surface synthesis of a nitrogen-doped curved cycloarene: π-extended pentaazaquintulene and its gold complex

Efficient delivery of magnolol via polymer and hybrid lipid–polymer particles to human macrophages

Advancements and challenges in the synthesis of oxymethylene ethers (OMEs) as sustainable transportation fuels

Analysis of macromolecular systems as enablers for energy and life science applications

Enhancing ionic conductivity and suppressing Li dendrite formation in lithium batteries using a vinylene-linked covalent organic framework solid polymer electrolyte