Results 231 to 240 of about 7,011 (294)

Regulating Interfacial Hydrogen‐Bonding Connectivity by Oxygen Vacancies‐Driven [Fe(CN)6]3− Coordination for Boosting Hydrogen Peroxide Electrosynthesis

Carbon Energy, EarlyView.
ABSTRACT The inherent hydroxide‐rich (OH⁻) environment in alkaline media facilitates the two‐electron oxygen reduction reaction (2e−ORR). However, the strong interaction between alkali metal cations and solvated water molecules significantly reduces the connectivity of the hydrogen bond network within the alkaline electric double layer, thereby ...
Kaiming Li, Ben Huang, Aihao Xu, Kai Nie, Xianhai Bai, Qian Ning, Guodong Wang, Shiming Qiu, Huibing He, Yang Ren, Jing Xu, Xucai Yin   +11 more
wiley   +1 more source

Beyond Numerical Hessians: Higher-Order Derivatives for Machine Learning Interatomic Potentials via Automatic Differentiation. [PDF]

J Chem Theory Comput
Gönnheimer N, Reuter K, Margraf JT.
europepmc   +1 more source

Supercells in Europe modelled by a Convection-Permitting Climate Model: Climatological features and future change

Abdullah Kahraman, Christopher Short, Hayley J. Fowler, Elizabeth Kendon   +3 more
openalex   +1 more source

Enhancing the d–Electrocatalytic Activity of MXene Through Defect Engineering

Carbon Energy, EarlyView.
Applications of MXene. ABSTRACT Due to their versatile and tunable surface and bulk chemistry, MXenes have great potential as electrocatalysts for batteries and supercapacitors. When compared with other electrocatalytic processes, in electrocatalytic reactions, MXenes could improve ion diffusion and charge transfer by either providing functional groups
Chenxue Wang, Zixin Wang, Wen Lei, Haijun Zhang, Yuhua Wang   +4 more
wiley   +1 more source

From Glaphene to Glaphynes: A Hybridization of Two-Dimensional Silica Glass and Graphynes. [PDF]

ACS Nano
Fabris GSL, de Oliveira RB, Pereira ML, Vajtai R, Ajayan PM, Galvão DS.   +5 more
europepmc   +1 more source

KI‐Doped α‐Mo2C Stably Catalyze Near‐Equilibrium CO2 to CO Beyond 1000 Hours

Carbon Energy, EarlyView.
Through iodine doping and effective stabilization of surface oxygen content, KI‐doped α‐Mo2C achieves a sustained equilibrium yield ratio of 0.95 over 1000 h at 400°C and 4 bar in reverse water–gas shift (RWGS) reaction. Furthermore, the catalyst has been successfully scaled up to the kilogram level, indicating considerable potential for industrial ...
Haipeng Wang, Chunshan Li, Zhiguo Lv, Tao Zhuang, Jinguang Hu, Fujin Sun, Chao Zhang   +6 more
wiley   +1 more source

Enhanced thermoelectric performance in Fe₂V_0.8W_0.2Al thin films: synergistic effects of chemical ordering and tungsten substitution.

J Mater Chem A Mater
Domínguez-Vázquez JM, Tenaguillo MÁ, Lohani K, Caballero-Calero O, Manzano CV, Plata JJ, Marquez AM, Cebollada A, Conca A, Martín-González M.   +9 more
europepmc   +1 more source

Quantum Valley Hall Effect-Based Coupler with Continuously Tunable Transmission for Topological Information Communication. [PDF]

Adv Sci (Weinh)
Funayama K, Yatsugi K, Tanaka H, Iizuka H.   +3 more
europepmc   +1 more source

Structural Aspects of Lithium‐Ion Conduction in the Phosphidotitanate Li8TiP4 and Its Comparison With Li7+5xTa1−xP4 and Li8−xTi1−xTaxP4

Chemistry – A European Journal, EarlyView.
ABSTRACT The chemical system Li/Ti/P has previously been subject to intensive investigation. However, reliable structural data for the reported phases have remained elusive. Motivated by the growing interest in phosphorus‐based lithium‐ion conductors, we have reinvestigated the synthesis, crystal structure, and physical properties of Li8TiP4.
David Müller, Tobias Kutsch, Sabine Zeitz, Viktor Hlukhyy, Gabriele Raudaschl‐Sieber, Wilhelm Klein, Thomas F. Fässler   +6 more
wiley   +1 more source

First-principles study of the electrochemical properties of NaFeCl₄ for cathode applications in sodium-ion batteries. [PDF]

RSC Adv
Hwang SG, Ri TI, Choe RG, Rim CH, Yu CJ.
europepmc   +1 more source