Results 211 to 220 of about 49,790 (296)

Designing 2D Wide Bandgap Semiconductor B₁₂X₂H₆ (X=O, S) Based on Aromatic Icosahedral B₁₂. [PDF]

Nanomaterials (Basel)
Gong P, Yuan JH, Wu GP, Liu ZH, Wang H, Wang J.   +5 more
europepmc   +1 more source

Engineering Na‐Rich P2‐Type Layered Oxides Through Li/Ti Dual Doping for Oxygen Redox Activation and Superior Structural Stability

Advanced Energy Materials, EarlyView.
P2‐type sodium layered oxides have potential for high‐voltage operation but suffer from structural instability and capacity fading. This work demonstrates that synergistic Li and Ti co‐doping enhances sodium inventory, suppresses detrimental phase transitions, and activates reversible lattice oxygen redox.
Rishika Jakhar, Shrestha Ghosh, Adesh Rohan Mishra, Shristi Pradhan, Debalina Sarkar, Yuanlong Bill Zheng, Zengqing Zhuo, Tianyi Li, Lu Ma, Minghao Zhang, Shyue Ping Ong, Matthew Li, Leeann Sun, Prabhat Thapliyal, Jing Wang, Abhik Banerjee, Ying Shirley Meng   +16 more
wiley   +1 more source

Engineering multifunctionality in gallium oxide: unveiling novel structural, electronic, and opto-mechanical attributes of gadolinium-doped β-Ga₂O₃ through advanced first-principles design. [PDF]

RSC Adv
Darvish Ganji M, Ko H.
europepmc   +1 more source

Comparative Insights and Overlooked Factors of Interphase Chemistry in Alkali Metal‐Ion Batteries

Advanced Energy Materials, EarlyView.
This review presents a comparative analysis of Li‐, Na‐, and K‐ion batteries, focusing on the critical role of electrode–electrolyte interphases. It especially highlights overlooked aspects such as SEI/CEI misconceptions, binder effects, and self‐discharge relevance, emphasizing the limitations of current understanding and offering strategies for ...
Changhee Lee, Zachary T. Gossage, Shinichi Kumakura, Shinichi Komaba   +3 more
wiley   +1 more source

A combined density functional and coupled-cluster theory study on correlation-bound anions of perfluorinated compounds.

Phys Chem Chem Phys
Titeca C, Paran GP, De Proft F, Jagau TC.   +3 more
europepmc   +1 more source

Trans-Influence in Dinuclear Pt(III) Complexes: Electronic Structure, σ-Donation, and Pt-Pt Spin-Spin Coupling. [PDF]

Inorg Chem
Oliveira PPR, Batista PR, Ducati LC, Autschbach J.   +3 more
europepmc   +1 more source

OER Activity Promoted by Organic Ligand‐Free Cs2Pt(Cl, Br)6 Perovskite Photocatalyst for Solar‐Driven Water Splitting

Advanced Energy and Sustainability Research, EarlyView.
This study explores Cs2PtX6 (X = Cl, Br) lead‐free perovskites as sustainable photocatalysts for solar‐driven water splitting. Cs2PtBr6 outperforms Cs2PtCl6 in oxygen evolution due to its narrower bandgap and efficient charge carrier dynamics, enabling enhanced light absorption and charge separation.
Kevin Mego, Pedro Ruiz‐Campos, Herme G. Baldoví, Pedro Atienzar   +3 more
wiley   +1 more source

Assessing half-Heusler alloys PtNbZ (Z=Al, Ga, In) <i>via</i> DFT: acceptability for thermoelectric applications. [PDF]

RSC Adv
Abdullah D, Gautam S, Seh AQ, Mir SA, Gupta DC.   +4 more
europepmc   +1 more source

First-principles prediction of semiconducting half-Heusler KXP compounds (X: Ca, Sr, Ba) for optoelectronic and photocatalytic applications. [PDF]

Sci Rep
Hashmat Z, Ko C, Rahman AU, Tumelero MA, Lazo M, El-Bahy SM, Magalhaes SG.   +6 more
europepmc   +1 more source

Simple electronegativity-based model for predicting formation of stable compounds across the periodic table. [PDF]

Nat Commun
Oganov AR, Kostenko MG.
europepmc   +1 more source