Results 221 to 230 of about 1,063,587 (296)

Ab Initio Calculation of Energy Gap and Optical Gap of Organic Semiconductors PTCDA and PDI. [PDF]

Chemphyschem
Hsieh CM, Link T, Maas M, Koschek K, Neudecker T.   +4 more
europepmc   +1 more source

‘Oxygen Bound to Magnesium’ as High Voltage Redox Center Causes Sloping of the Potential Profile in Mg‐Doped Layered Oxides for Na‐Ion Batteries

Advanced Functional Materials, EarlyView.
Na‐ion batteries ‐ Impact of doping on the oxygen redox: The sloping potential of NaMg0.1Ni0.4Mn0.5O2 above 4.0 V is caused by a new redox center (arising from the ‘O bound to Mg’), having a higher potential but being more irreversible compared to the ‘O bound to Ni’.
Yongchun Li, Konstantin Köster, Katherine A. Mazzio, Yanan Sun, Annica I. Freytag, Deniz Wong, Christian Schulz, Götz Schuck, Volodymyr Baran, Alba San Jose Mendez, Marcin Zając, Payam Kaghazchi, Philipp Adelhelm   +12 more
wiley   +1 more source

ChemTorch: A Deep Learning Framework for Benchmarking and Developing Chemical Reaction Property Prediction Models. [PDF]

J Chem Inf Model
De Landsheere J, Zamyatin A, Karwounopoulos J, Heid E.   +3 more
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

Electronic Structure and Interfacial Hole Transfer in a Di-Rhodium Photocatalyst on a p‑Type NiO Electrode. [PDF]

J Phys Chem C Nanomater Interfaces
Fasulo F, Pecoraro A, Muñoz-García AB, Pavone M.   +3 more
europepmc   +1 more source

Joint Control of Radiated and Surface Waves via Space‐Time Coding Metasurfaces

Advanced Functional Materials, EarlyView.
A unified space‐time coding metasurface platform enables simultaneous control of radiated and surface‐confined waves across multiple harmonics. Demonstrated functionalities include multi‐frequency beam shaping; surface‐wave excitation, and hybrid multiplexing.
Zihao Dai, Yi Ning Zheng, Lei Zhang, Xiao Qing Chen, Giuseppe Castaldi, Tie Jun Cui, Vincenzo Galdi   +6 more
wiley   +1 more source

Generalized coarsened confounding for causal effects: a large-sample framework. [PDF]

J Causal Inference
Ghosh D, Wang L.
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

Symmetry in category systems across languages. [PDF]

Nat Commun
Kemp C.
europepmc   +1 more source

DNA‐Templated 2D Heterostructures as Phototriggered Dynamic Nanohybrids: From Releasing Molecular Loads to Controlling Enzyme Biocatalytic Function

Advanced Functional Materials, EarlyView.
DNA strands are employed both as dynamic linkers and nanoscale templates for the integration of Ag2S nanoparticles on MoS2, which in turn imparted photothermal responsiveness; this feature permits the selective cargo (fluorophore, quantum dots or an enzyme) release from the MoS2 surface in response to local heat induced by light irradiation.
Kai Chen, Haosen Miao, Weiying Hong, Matteo Palma   +3 more
wiley   +1 more source