Fast and effective molecular property prediction with transferability map
Transfer learning improves molecular property prediction in limited datasets, yet suffers from negative transfer due to insufficient relatedness. We develop a principal gradient-based measurement to evaluate transferability before applying transfer learning, significantly improving the performance.
Double-walled Al-based MOF with large microporous specific surface area for trace benzene adsorption
A double-walled Al-based MOF, named as ZJU-520(Al), with large microporous specific surface area of 2235 m2/g, was synthesized. It has excellent trace benzene adsorption (5.98 mmol/g) and can effectively separate trace benzene from benzene and cyclohexane mixture gas.
Forward-predictive SERS-based chemical taxonomy for untargeted structural elucidation of epimeric cerebrosides
Can we elucidate the chemical structure of molecules based on the SERS spectra of other molecules?
Behind the Paper: Catalyst self-assembly accelerates bimetallic light-driven water splitting
Light-driven hydrogen evolution from water holds promise for applications in synthetic fuels. Here, light-harvesting molecular catalysts noncovalently self-assemble into nanoscale aggregates for efficient photoelectrochemical hydrogen generation from water.
Deuteration-enhanced neutron contrasts to probe amorphous domain sizes in organic photovoltaic bulk heterojunction films
This study unveils the amorphous nanomorphology of organic photovoltaics, employing neutron scattering and deuteration to enhance organic donor and acceptor contrast. It uncovers Y6's short-range aggregation within amorphous intermixed regions, pivotal for charge extraction and recombination.
Innovations in Acetylene Semi-Hydrogenation Catalysts with Barrier-Less Activation Energy
Step into the world of catalyst design for ethylene production! With polyethylene demand soaring, ensuring pure ethylene streams is critical. Join us on this exciting journey as we explore the vital role of catalysts in meeting demand and optimizing production.
Lithium Inventory Tracking as a Nondestructive Battery Evaluation and Monitoring Method
Capacity measurement has been used to evaluate and monitor battery state and health elusively, but now lithium inventory transaction can be tracked accurately at the electrode-electrolyte interface to improve battery performance and reliability.
An electroabsorption perspective on charge-transfer excitations in non-fullerene acceptors
Using electroabsorption spectroscopy to investigate intra- and intermolecular charge transfer excitations in Y6 and ITIC non-fullerene acceptors.
