Results 141 to 150 of about 100,963 (264)

Elements and roadmap for interactive molecular graphics and modeling "in the Holodeck". [PDF]

Protein Sci
Mulholland AJ, Abriata LA.
europepmc   +1 more source

Tuning the Electronic Structure and Spin State of Fe─N─C Catalysts Using an Axial Oxygen Ligand and Fe Clusters for High‐Efficiency Rechargeable Zinc–Air Batteries

Advanced Functional Materials, EarlyView.
A FeN4─O/Clu@NC‐0.1Ac catalyst containing atomically‐dispersed FeN4─O sites (medium‐spin Fe2+) and Fe clusters delivered a half‐wave potential of 0.89 V for ORR and an overpotential of 330 mV at 10 mA cm−2 for OER in 0.1 m KOH. When the catalyst was used in a rechargeable Zn–air battery, a power density of 284.5 mW cm−2 was achieved with excellent ...
Yongfang Zhou, Yu Mao, Mengyao Chang, Ziyun Wang, Wenke Xie, Cuizhu Ye, Shanghai Wei, Lars Thomsen, Geoffrey I. N. Waterhouse   +8 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

Energy‐Efficient Bulk Photoalignment of Main‐Chain Liquid Crystalline Polymers Enabled by In Situ Monitoring

Advanced Functional Materials, EarlyView.
In situ monitoring of bulk photoalignment reveals how molecular weight, azobenzene content, cooling rate, and thickness govern ordering in main‐chain liquid crystalline polymers. Optimized copolymers exceed conventional thickness limits, maintaining stable alignment up to 130 µm with high energy efficiency and reversible optical patterning.
Jaechul Ju, Joy Zhou, Connor J. O'Dea, Zachariah A. Page   +3 more
wiley   +1 more source

A Quantum-Hybrid Framework for Urban Environmental Forecasting Integrating Advanced AI and Geospatial Simulation. [PDF]

Sensors (Basel)
Peksa J, Perekrest A, Vadurin K, Mamchur D.   +3 more
europepmc   +1 more source

A Van der Waals Optoelectronic Synapse with Tunable Positive and Negative Post‐Synaptic Current for Highly Accurate Spiking Neural Networks

Advanced Functional Materials, EarlyView.
A van der Waals optoelectronic synaptic device based on a ReS2/WSe2 heterostructure and oxygen‐treated h‐BN is presented, which enables both positive and negative PSCs through photocarrier polarity reversal. Bidirectional plasticity arises from gate‐tunable band bending and charge trapping‐induced quasi‐doping.
Hyejin Yoon, Soeun Park, Yeong Kwon Kim, Juhwan Baek, Ki Han Kim, Seongil Yun, Hyeonchang Son, Jeongeun Choi, Byung Chul Jang, Dong‐Ho Kang   +9 more
wiley   +1 more source

Mini Review: Synergizing Driven Quantum Dynamics, AI, and Quantum Computing for Next-Gen Materials Science. [PDF]

J Phys Chem Lett
Akanbi OS, Shannon JP, Delhommelle J, Desgranges C.   +3 more
europepmc   +1 more source

Spectrally Tunable 2D Material‐Based Infrared Photodetectors for Intelligent Optoelectronics

Advanced Functional Materials, EarlyView.
Intelligent optoelectronics through spectral engineering of 2D material‐based infrared photodetectors. Abstract The evolution of intelligent optoelectronic systems is driven by artificial intelligence (AI). However, their practical realization hinges on the ability to dynamically capture and process optical signals across a broad infrared (IR) spectrum.
Junheon Ha, Yingshan Ma, Yong Nam An, Sung‐Un An, Hyeon Hak Jung, Suvi‐Tuuli Varjamo, Jiwon Yoo, Junho Min, Hanvit Kim, Faisal Ahmed, Sang Hoon Chae, Young Min Song, Weiwei Cai, Tawfique Hasan, Zhipei Sun, Dong‐Ho Kang, Hyeon‐Jin Shin, Yunyun Dai, Hoon Hahn Yoon   +18 more
wiley   +1 more source

SFTGNN: An Efficient Spherical Fourier Transform-Enhanced Graph Neural Network for High-Accuracy Crystal Property Prediction. [PDF]

ACS Omega
Jiang Z, Tian H.
europepmc   +1 more source

Integrative Approaches for DNA Sequence‐Controlled Functional Materials

Advanced Functional Materials, EarlyView.
DNA is emerging as a programmable building block for functional materials with applications in biomimicry, biochemical, and mechanical information processing. The integration of simulations, experiments, and machine learning is explored as a means to bridge DNA sequences with macroscopic material properties, highlighting current advances and providing ...
Aaron Gadzekpo, Ewa Anna Oprzeska‐Zingrebe, Mariana Kozlowska, Lennart Hilbert, Iliya D. Stoev   +4 more
wiley   +1 more source