A review of applications of machine learning in quantum dots research. [PDF]
Discov NanoMalashin I +5 more
europepmc +1 more source
Efficient Charge Transport in Zero‐Dimensional Perovskite for Ultrahigh‐Sensitivity X‐Ray Detection
Advanced Functional Materials, EarlyView.A novel mono‐octahedral 0D Bi‐based Dpy3Bi2I12 perovskite strengthens the internal hydrogen bonds and forms a quasi‐2D lattice, exhibits exceptional charge transport and mobility, achieving high X‐ray sensitivity and ultralow‐dose imaging, and setting a new benchmark for 0D detector performance.
Xin Song +16 more
wiley +1 more source
Artificial Intelligence as the Next Visionary in Liquid Crystal Research
Advanced Functional Materials, EarlyView.The functions of AI in the research laboratory are becoming increasingly sophisticated, allowing the entire process of hypothesis formulation, material design, synthesis, experimental design, and reiterative testing to be automated. In our work, we conceive how the incorporation of AI in the laboratory environment will transform the role and ...
Mert O. Astam +2 more
wiley +1 more source
Computational chemistry methods based on MNDO and tools for improving their accuracy. [PDF]
J Mol ModelStewart JJP.
europepmc +1 more source
s‐Orbital Mediated Metavalent Bonding Enables State‐Of‐The‐Art n‐Type AgBiSe2 Thermoelectrics
Advanced Functional Materials, EarlyView.Metavalent bonding (MVB) underpins the exceptional property portfolio of chalcogenides. Typical MVB solids are mainly found in p‐bonded systems. This work reveals that MVB can also be formed with s‐p orbital interactions upon forming a single‐electron σ‐bond, as exemplified in AgBiSe2.
Binrong Huang +13 more
wiley +1 more source
Fundamental and Applied Aspects of Physics in Low-Dimensional Systems. [PDF]
Nanomaterials (Basel)Ciftja O.
europepmc +1 more source
Beyond the Edge: Charge‐Transfer Excitons in Organic Donor‐Acceptor Cocrystals
Advanced Functional Materials, EarlyView.Complex excitonic landscapes in acene–perfluoroacene cocrystals are unveiled by polarization‐resolved optical spectroscopy and many‐body theory. This systematic study of a prototypical model system for weakly interacting donor–acceptor compounds challenges common views of charge‐transfer excitons, providing a refined conceptual framework for ...
Sebastian Anhäuser +6 more
wiley +1 more source
Multiscale Computational Enzymology of CYP450 Biotransformation of Organic Halogenated Pollutants: Methods and Environmental Perspectives. [PDF]
ACS OmegaZhao M, Shen X, Wu J, Gao W.
europepmc +1 more source
Quantum molecular modelling for efficient chemical synthesis [PDF]
Research Outreach, 2019 openaire +1 more source
Advanced Functional Materials, EarlyView.Optoelectronic synaptic devices based on solution‐processed molecular telluride GST‐225 phase‐change inks are demonstrated for three‐factor learning. A global optical signal broadcast through a silicon waveguide induces non‐volatile conductance updates exclusively in locally electrically flagged memristors.
Kevin Portner +14 more
wiley +1 more source