Results 181 to 190 of about 89,896 (247)

Stacking in Layered Covalent Organic Frameworks: A Computational Approach and PXRD Reference Guide. [PDF]

Int J Mol Sci
Steentjes R, Zojer E.
europepmc   +1 more source

Stable Hexagonal V2B2 Monolayer as a Promising Nonprecious Electrocatalyst for Hydrogen Evolution Reaction: Insights from First‐Principles Calculations

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
This work discovered stable V2B2 monolayer exhibits promising HER catalytic activity via unbiased swarm‐intelligence structural search. Further doping with transition metals such as Sc, Y, Ti, Zr, Hf significantly enhances the HER activity. Bader charge analysis reveals a linear correlation between ΔGH* and the electron gain by the hydrogen atom, which
Ziqi Li, Xue Li, Sheng Wang, Siyu Lu, Guochun Yang, Zhiyong Tang   +5 more
wiley   +1 more source

Lattice Boltzmann simulation for phase separation with chemical reaction controlled by ultrasound field. [PDF]

PLoS One
Wang H, Lu Y.
europepmc   +1 more source

Isoelectronic Alloying in Zintl Phases Mediated the Avoided Crossing and Phonon Softening

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
A small amount of Hf doping endows Zr3Ni3Sb4‐Zintl with an unusually low thermal conductivity far exceeding that of similar systems. Two unique phonon mechanisms—avoided crossing and phonon softening—significantly suppress the lattice thermal conductivity. The average thermoelectric figure of merit is improved by 21%.
Zesong Wang, Xiang Wei, Ran Guo, Shun Han, Weihong Gao, Yu‐dong Fu, Zihang Liu   +6 more
wiley   +1 more source

Darcy number effects on natural convection around a porous cylinder in L-shaped enclosure using Lattice Boltzmann method. [PDF]

Sci Rep
Hulle TB, Krishnaraj R, Ramanan MV, Nagaprasad N.   +3 more
europepmc   +1 more source

Stepwise Optimization of Thermoelectric Performance in Cu3SbSe4‐Based Compounds via Alloying and Hierarchical Structuring

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Under the stepwise optimization strategy, (Sn, Te) co‐alloying functions as the primary initiative to enhance the power factor (PF), while the subsequent incorporation of AgCuTe operates as a synergistic maneuver to suppress lattice thermal conductivity (κlat), thereby concomitantly boosting the dimensionless figure of merit (ZT).
Wenying Wang, Xinglong Wang, Lin Bo, Wenying Zhou, Changcun Li, Zheng Zhang, Futian Liu, Degang Zhao   +7 more
wiley   +1 more source

Simulation of the Diffusion Characteristics of Multifunctional Nanocarriers in Tumor Tissues Using Lattice Gas Automata and the Lattice Boltzmann Method. [PDF]

Bioengineering (Basel)
Qin Y, Yue K, Yu X, You Y, Yang C, Zhang X.   +5 more
europepmc   +1 more source

Superionic Conduction Through Lattice Engineering of Fluorites Stabilizing Periodic Oxygen Vacancy Network

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Lattice‐engineered fluorite oxide with periodic oxygen vacancy network achieves superionic conduction, Ce4+–Al3+ fluorite cation ordering enables dielectric‐enhanced superionic conduction, surpassing the limitations of conventional doped electrolytes and high fuel cell performance at low temperature through a flattened energy landscape.
Shahzad Rasool, Muhammad Faisal Anwar, Sarfraz, Nabeela Akbar, Wei Zhou, Shuo Wan, Rizwan Raza, Muhammad Afzal, Li Sun, Chenjie Lou, Mingxue Tang, Aristides D. Zdetsis, Hind Himayyid Aljaddani, Mohamed Elfleet, Peter D. Lund, Muhammad Imran Asghar, Yifu Jing, Qi Fan, Bin Zhu   +18 more
wiley   +1 more source

Research Progress on Micro/Nanopore Flow Behavior. [PDF]

Molecules
Yu J, Du M, Zhang Y, Chen X, Yang Z.
europepmc   +1 more source

Selective Optical Properties of Cement for Enhanced Radiative Cooling and Energy‐Efficient Construction Materials

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Cement phases are good materials for radiative cooling thanks to the selective emissivity in IR ATW. Cement powders have high reflectance of solar radiation which reduces the thermal losses. The onset of the absorption curves is defined by bound excitons. Sulfates have higher radiated powers and reflectance than calcium silicates.
Jozef Janovec, Guido Goracci, Jorge S. Dolado, Andrés Ayuela   +3 more
wiley   +1 more source