Results 191 to 200 of about 434,762 (285)

Beyond Earth: Resilience of Quasi‐2D Perovskite Solar Cells in Space

Advanced Materials, EarlyView.
In the article (DOI: 10.1002/adma.202520433), Christoph Putz and co‐workers demonstrate rigid quasi‐2D perovskite solar cells operating in low Earth orbit, delivering stable power for more than 100 days under real‐space conditions. In‐orbit performance is correlated with extensive ground‐based thermal and proton‐irradiation studies on rigid and ...
Christoph Putz, Lukas E. Lehner, Stepan Demchyshyn, Bekele Hailegnaw, Phillip Jahelka, Magdalena Breitwieser, Sercan Özen, Andrea Denker, Jürgen Bundesmann, Alina Hanna Dittwald, Dilara Karabulut, Philipp Tockhorn, Steve Albrecht, Felix Lang, Markus C. Scharber, Michael D. Kelzenberg, Harry A. Atwater, Martin Kaltenbrunner   +17 more
wiley   +1 more source

DFT-CES2: Quantum Mechanics Based Embedding for Mean-Field QM/MM of Solid-Liquid Interfaces. [PDF]

JACS Au
Jang T, Shin SJ, Lim HK, Goddard WA, Kim H.   +4 more
europepmc   +1 more source

Self‐Powered Flexible Triboelectric‐Gated Ion‐Gel Transistor for Neuromorphic Tactile Sensing and Human Activity Recognition

Advanced Materials, EarlyView.
A fully flexible ion‐gel‐gated graphene‐channel transistor driven by a triboelectric nanogenerator enables self‐powered tactile sensing and synaptic learning. Mimicking spike‐rate‐dependent plasticity, the device exhibits frequency‐selective potentiation and depression, supporting rate‐coded neuromorphic computation even under flex.
Hanseong Cho, Seoyeon Park, Youngmin Lee, Sejoon Lee   +3 more
wiley   +1 more source

Enhancing chemical synthesis planning: automated quantum mechanics-based regioselectivity prediction for C-H activation with directing groups. [PDF]

Beilstein J Org Chem
Seumer J, Ree N, Jensen JH.
europepmc   +1 more source

Ultra‐Confinement of Polaritons in Single Atomic Layer Ag Photonic Quantum Dots

Advanced Materials, EarlyView.
Strong confinement of surface phonon polaritons of silicon carbide was achieved in photonic quantum dots fabricated from van der Waals heterostructure of epitaxial graphene over single‐atomic layer silver. Scattering‐type scanning near‐field optical microscopy combined with an analytical approach, developed to reveal local propagation constants with ...
Xinyi Li, Tetyana Ignatova, Chengye Dong, Krishnan Mekkanamkulam Ananthanarayanan, Rinu Abraham Maniyara, Arpit Jain, Furkan Turker, Vinay Kammarchedu, Aida Ebrahimi, Joshua A. Robinson, Slava V. Rotkin   +10 more
wiley   +1 more source

Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima Algorithm. [PDF]

J Chem Theory Comput
Schlinsog M, Sattasathuchana T, Xu P, Guidez EB, Gilson MK, Potter MJ, Gordon MS, Webb SP.   +7 more
europepmc   +1 more source

Large‐Area 2D Metasurface‐Based Triboelectric E‐Skin Arrays: Contact & Proximity Tactile Mapping with Broadband Acoustic Readouts

Advanced Materials, EarlyView.
Metasurface‐engineered NC‐TENG arrays integrate tactile pressure mapping, non‐contact gesture sensing, and acoustic signal readouts in one ultrathin module, and outperforms pristine PDMS in terms of electrical output and real‐time spatial mapping for next‐gen wearables.
Injamamul Arief, Swagato Sarkar, Anik Kumar Ghosh, Osvalds Verners, Kamal Kumar Meena, Su‐Hyeong Lee, Soosang Chae, Tobias A. F. König, Beate Krause, Andreas Fery, Mehmet Sait Özer, Anindya Nag, Amit Das   +12 more
wiley   +1 more source

Unlocking the chemistry facilitated by enzymes that process nucleic acids using quantum mechanical and combined quantum mechanics-molecular mechanics techniques. [PDF]

Pure Appl Chem
Nikkel DJ, Wetmore SD.
europepmc   +1 more source

Multifunctional Bio‐Based Packaging for Perishable Foods: Structural Design, Scalable Fabrication, and Versatile Applications

Advanced Materials, EarlyView.
An overview of design principles and scalable fabrication strategies for multifunctional bio‐based packaging. Radiative cooling films, modified‐atmosphere films/membranes, active antimicrobial/antioxidant platforms, intelligent optical/electrochemical labels, and superhydrophobic surfaces are co‐engineered from material chemistry to mesoscale structure
Lei Zhang, Jiaqi Zhang, Mei Cui, Wei Qi, Renliang Huang, Rongxin Su, Kai Zhang   +6 more
wiley   +1 more source

MORE-Q, a dataset for molecular olfactorial receptor engineering by quantum mechanics. [PDF]

Sci Data
Chen L, Medrano Sandonas L, Traber P, Dianat A, Tverdokhleb N, Hurevich M, Yitzchaik S, Gutierrez R, Croy A, Cuniberti G.   +9 more
europepmc   +1 more source