Results 161 to 170 of about 100,827 (266)

A review of recent advances in generative artificial intelligence models for biomolecular sciences. [PDF]

Acta Pharm Sin B
Jiang J, Li D, Wang G, Hayes N, Shi Y, Qiu H, Zhang B, Zhou T, Wei GW.   +8 more
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, Dasol Kim, Yuan Yu, Jinxuan Zhong, Jianbo Zhu, Yaoling Shen, Yu Guo, Moran Wang, Jiawei Huang, Tu Lyu, Nan Lin, Yongsheng Zhang, Matthias Wuttig, Lipeng Hu   +13 more
wiley   +1 more source

Atom Addition Formation of Thionylimide (HNSO) on Interstellar Dust Grains: Chemical Routes Requiring Oxygen and Nitrogen Atom Surface Diffusion. [PDF]

ACS Earth Space Chem
Del Valle JC, Sanz-Novo M, Kästner J, Furuya K, Rivilla VM, Martín-Doménech R, Molpeceres G.   +6 more
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, Ana M. Valencia, Sergei I. Ivlev, Marc Zeplichal, Andreas Terfort, Caterina Cocchi, Gregor Witte   +6 more
wiley   +1 more source

Predicting carbonation depth in fiber-reinforced ultra-high performance concrete (FR-UHPC) using state-of-the-art machine learning techniques. [PDF]

Sci Rep
Mahmoodzadeh A, Hassan R, Ghazouani N, Alghamdi A, Alanazi A, Alsubai S, Alqahtani A, Palani S.   +7 more
europepmc   +1 more source

Optoelectronic Synaptic Devices Using Molecular Telluride Phase‐Change Inks for Three‐Factor Learning

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, Dhananjeya Kumaar, Giacomo Torti, Killian Keller, Till Zellweger, Florian M. Schenk, Christoph Weilenmann, Daniel Chelladurai, Vara Prasad Jonnalagadda, Ghazi Sarwat Syed, Vanessa Wood, Jürg Leuthold, Alexandros Emboras, Maksym Yarema, Mathieu Luisier   +14 more
wiley   +1 more source

Nature meets machine: the AI renaissance in natural product drug discovery. [PDF]

Nat Prod Bioprospect
Muthuraj R, Chandrasekaran J.
europepmc   +1 more source

Complexation‐Mediated Diffusion‐Limited Crystal Growth: A General Framework for Anisotropic Crystal Growth in Cu‐Based Perovskites

Advanced Functional Materials, EarlyView.
A Complexation‐Mediated Diffusion‐Limited Growth (CMDLG) framework is established to rationalize the anisotropic growth of lead‐free perovskites. Integrating coordination chemistry with mass transport kinetics, this study theoretically derives and experimentally validates that stable iodocuprate complexes induce a diffusion‐limited regime.
Hyunmin Lee, Mu Geun Son, Thanh Van Vu, Hokyeong Jeong, Joonhee Kang, Youngjong Kang   +5 more
wiley   +1 more source

DFT insights into humic acid coordination of Cd(II) Cu(II) and Pb(II). [PDF]

Sci Rep
Elhaes H, Ibrahim MA.
europepmc   +1 more source

Self‐Hybridized Exciton‐Polariton Photodetectors From Layered Metal‐Organic Chalcogenolates

Advanced Functional Materials, EarlyView.
Self‐hybridized exciton‐polariton photodetectors are demonstrated using high refractive index mithrene, eliminating the need for top mirrors. This simplified architecture enables tunable sub‐bandgap photodetection via lower exciton‐polariton states and enhanced carrier transport through ultrafast polariton group velocities.
Bongjun Choi, Adam D. Alfieri, Wangleong Chen, Deep Jariwala   +3 more
wiley   +1 more source