Results 141 to 150 of about 8,643,122 (251)
Time‐resolved in situ x‐ray absorption spectroscopy and DFTB‐based molecular dynamics simulations identify direct hydrogen atom transfer from ethanol to lattice oxygen as the elementary step of laser‐driven reduction in NiCo2O4. While this transfer is facile, the subsequent release of lattice oxygen is entropy‐driven and becomes accessible only at ...
Woo Hyeok Kim +12 more
wiley +2 more sources
Descriptor‐Guided Computational Screening of Non‐Fullerene Acceptor Cores for Organic Solar Cells
We screen over 4000 non‐fullerene acceptors using their ionization energy, electron affinity, quadrupole, and dipole moments to select the top‐ten candidates for a given donor polymer. The workflow recovers known high‐performance motifs and reveals how molecular components influence material properties.
Kun‐Han Lin +9 more
wiley +1 more source
KO‐NH2 is a synthetic metallophore that preferentially binds Ga3+ over Fe3+ and is recognized by bacterial transporters. Photocrosslinking identifies CirA and Fiu as key uptake proteins in E. coli. KO‐NH2 enables targeted imaging and treatment of E. coli soft tissue infections.
Phuong Nguyen Tran +5 more
wiley +2 more sources
The potential–capacity profile reveals a one‐electron limitation in sidorenkite Na3−xFe(PO4)(CO3). Structural analysis shows that Fe4+ formation induces lattice strain and suppresses electronic conductivity, blocking further Na extraction. These findings establish key design rules: preserve crystallinity, avoid Jahn–Teller–active d4 configurations, and
Samuel Franz Gatti +7 more
wiley +1 more source
Profiling and Identification of Novel Tiletamine Metabolites in Human Urine and Hair by Liquid Chromatography Coupled With Quadrupole-Orbitrap Mass Spectrometry. [PDF]
Qin S +8 more
europepmc +1 more source
A Parallel Accumulation-Mobility Aligned Fragmentation Strategy Utilizing High-Resolution Ion Mobility for High-Performance Proteomics Analysis. [PDF]
Rorrer LC +8 more
europepmc +1 more source
Advances in the Design and Functionality of a Compact Multi-Reflecting Time-of-Flight Mass Spectrometer. [PDF]
Wildgoose J +7 more
europepmc +1 more source
Interlayer Electric Multipole Hall Effect in Twisted Multilayers. [PDF]
Xiao C, Xiao C, Zhai D, Yao W.
europepmc +1 more source
Continuous-wave laser absorption spectroscopy of the thorium-229 nucleus. [PDF]
Morawetz I +19 more
europepmc +1 more source
A perfluorinated Zn(II) coordination sheet operates as an interlayer adaptive crystal (LAC), where a small ultramicropore acts as an electrostatic trigger. Guest‐induced breathing driven by fluorinated π‐hole surfaces enables highly selective inclusion of CO2 over N2 and CH4, and benzene over other six‐membered hydrocarbons, beyond the intrinsic ...
Masahiro Abe +5 more
wiley +1 more source

