Results 191 to 200 of about 41,596 (260)
Advanced Science, EarlyView.Atomically correlated phosphorus–sulphur sites are introduced into graphitic carbon nitride to regulate charge distribution, suppress localized trapping, and enhance oxygen activation. The resulting metal‐free photocatalyst selectively promotes the two‐electron oxygen reduction pathway, enabling efficient hydrogen peroxide production in pure water ...
Adnan Ahmad +12 more
wiley +1 more source
Cooperative Effects in the Inverse Coordination Complexes of Aromatic Azines and Tin(IV) Halides. [PDF]
J Phys Chem AMatczak P.
europepmc +1 more source
Thermally Assisted Photocatalytic Dehydrogenation of Methanol in Continuous Steady‐State Operation
Advanced Science, EarlyView.Thermally assisted photocatalytic methanol dehydrogenation on Pt/TiO2 enables formaldehyde and hydrogen production far beyond thermodynamic limits. Continuous operation delivers up to 95% selectivity over 70 h, and oxygen microdosing strongly boosts conversion by regenerating surface oxygen sites.
Florian Stubenrauch +8 more
wiley +1 more source
Linear-Scaling Asymmetric Triples Correction through the Solution of the DLPNO-CCSD Lambda Equations: DLPNO-CCSD(T)Λ. [PDF]
J Chem Theory ComputToth EC, Jiang A, Schaefer HF.
europepmc +1 more source
From Intermediate Epoxy Group to Stable Ether Bridge: Insights from DFT Study on Graphene Quantum Dots. [PDF]
MoleculesRomanov D, Lavrentyev A, Ershov I.
europepmc +1 more source
Predicting Properties of Key Ingredients of Battery Solvents with Density Functional Theory and Adaptive Force Matching. [PDF]
J Chem Theory ComputWei Y, Weldon R, Wang F.
europepmc +1 more source