Results 301 to 310 of about 764,877 (372)

Real-Space Constrained Density Functional Theory Investigation of Site-Specific, Interfacial Charge Recombination Dynamics Across the Au Nanoparticle/TiO₂ Heterojunction. [PDF]

J Phys Chem Lett
Glenna DM, Mora Perez C, Hermosillo E, Zhao H, Qian J.   +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

Design and synthesis of an axially chiral platinum(II) complex and its CPL properties in PMMA matrix. [PDF]

Beilstein J Org Chem
Tauchi D, Ogura S, Sakura M, Tsubaki K, Hasegawa M.   +4 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

A literature-derived dataset of migration barriers for quantifying ionic transport in battery materials. [PDF]

Sci Data
Devi R, Balasubramanian A, Butler KT, Sai Gautam G.   +3 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

Symmetrical D-π-A-π-D indanone dyes: a new design for nonlinear optics and cyanide detection. [PDF]

Beilstein J Org Chem
Keleş E, Barsella A, Seferoğlu N, Seferoğlu Z, Aydıner B.   +4 more
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

Proton Transport on Graphamine: A Deep-Learning Potential Study. [PDF]

J Phys Chem C Nanomater Interfaces
Ananthabhotla LY, Achar SK, Johnson JK.
europepmc   +1 more source

Preparation and characterization of a novel deacetylated chitin @perlite/hydroxyapatite composite for effective adsorption of uranyl ions from aqueous solution: Experimental and DFT modeling studies

Rachid El Kaim Billah, Selçuk Şimşek, Hicham Majdoubi, Yağmur Bütün, Savaş Kaya, Eduardo Alberto López‐Maldonado, Konstantin P. Katin, Riadh Marzouki, Mounia Achak   +8 more
openalex   +1 more source