Results 221 to 230 of about 93,451 (264)

‘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

A Study of the Structure of an Anion Exchange Resin with a Quaternary Ammonium Functional Group by Using Infrared Spectroscopy and DFT Calculations. [PDF]

Materials (Basel)
Chruszcz-Lipska K, Szostak E.
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

The Impact of Carbon on Electronic Structure of N-Doped ZnO Films: Scanning Photoelectron Microscopy Study and DFT Calculations. [PDF]

Nanomaterials (Basel)
Guziewicz E, Mishra S, Amati M, Gregoratti L, Volnianska O.   +4 more
europepmc   +1 more source

Powering the Future: A Cobalt‐Based Catalyst for Longer‐Lasting Zinc–Air Batteries

Advanced Functional Materials, EarlyView.
A novel N‐doped graphitic shell‐encapsulated Co catalyst reveals superior bifunctional ORR/OER activity in alkaline media, empowering outstanding liquid and quasi‐solid‐state ZAB activity. The system delivers long‐term durability, a peak power density of 127 mW cm−2 and successfully powers an LED and a mini fan.
Manami Banerjee, Peng Ren, Greesh Kumar, Lucie Lindenbeck, Byoung Joon Park, Anna Rokicińska, Piotr Kuśtrowski, Adam Slabon, Francesco Ciucci, Ramendra Sundar Dey, Shoubhik Das   +10 more
wiley   +1 more source

Docking, MD Simulations, and DFT Calculations: Assessing W254's Function and Sartan Binding in Furin. [PDF]

Curr Issues Mol Biol
Georgiou N, Mavromoustakos T, Tzeli D.
europepmc   +1 more source

Atomically Revealing Bulk Point Defect Dynamics in Hydrogen‐Driven γ‐Fe2O3 → Fe3O4 → FeO Transformation

Advanced Functional Materials, EarlyView.
In situ TEM uncovers the atomic‐scale mechanisms underlying hydrogen‐driven γ‐Fe2O3→Fe3O4→FeO reduction. In γ‐Fe2O3, oxygen vacancies cluster around intrinsic Fe vacancies, leading to nanopore formation, whereas in Fe3O4, vacancy aggregation is suppressed, preserving a dense structure.
Yupeng Wu, Dongxiang Wu, Wenhui Zhu, Xiaobo Chen, Zhikang Zhou, Zhilu Liang, Shuonan Ye, Meng Li, Xiao Tong, Kim Kisslinger, Sooyeon Hwang, Dmitri Zakharov, Renu Sharma, Judith C. Yang, Guangwen Zhou   +14 more
wiley   +1 more source

Noncovalent dyads of lanthanide nitride cluster fullerenes Ln₃N@C₈₀ and bisphthalocyanines LnPc₂: Insights from DFT calculations. [PDF]

J Mol Model
Bolivar-Pineda LM, Basiuk EV, Basiuk VA.
europepmc   +1 more source

Synergistic Compatibilization of CsPbBr3 Perovskites and HfO2 Nanocrystals for Hybrid Sensitized Nanoscintillators

Advanced Functional Materials, EarlyView.
Lead halide perovskite nanocrystals are promising scintillators but suffer from reabsorption losses and limited compatibility with high‐Z additives. Hybridization of CsPbBr3 nanocrystals with PbBr2‐passivated HfO2 nanoparticle sensitizers, achieved during or after synthesis, produces stable composites with maintained optical quality, improved ...
Francesco Bruni, Saptarshi Chakraborty, Andrea Fratelli, Abdessamad El Adel, Jordi Llusar, Francesco Carulli, Matteo L. Zaffalon, Chenger Wang, Vojtech Zabloudil, Etiennette Auffray, Francesco Meinardi, Leonardo Poletti, Laura Lazzarini, Daniela Manno, Anna Galli, Francesca Rossi, Ivan Infante, Sergio Brovelli   +17 more
wiley   +1 more source

Metal complexes of sulfamethazine/benzoin-based Schiff base ligand: synthesis, characterization, DFT calculations, and antimicrobial activities. [PDF]

Turk J Biol
Buran K.
europepmc   +1 more source