The formal scaling of the DFT computation can be reduced by choosing to use auxiliary Gaussian basis sets to fit the charge density (CD) and/or fit the exchange-correlation (XC) potential. The ...

Abstract: The estimation of charge density distribution in polyethylene (PE) especially at the interface region with conducting material such as copper (Cu) is essential at high field conduction. The ...

This model allows to relate the pH dependence of the phase diagram to the variations of the nanoparticle surface charge density, which leads to a useful method to monitor the colloidal stability of ...

Ilika CEO Graeme Purdy on beating lithium-ion with safer, higher-performing solid-state batteries for EVs and beyond.

The 200 C battery can recharge in just 18 seconds and drain equally quickly to deliver high power.

School of Materials Science and Engineering, State Key Laboratory of Optoelectronic Materials and Technologies, Key Lab of Polymer Composite & Functional Materials, Guangzhou Key Laboratory of ...

(9) A comparative analysis of electron density distributions and intermolecular interactions in the P1 and P3 phases reveals significant differences in hydrogen bonding networks, particularly those ...

These batteries could offer 1,800 miles of range, and Huawei says the right charger could replenish the battery in about five ...

Something I find interesting -- encouraging, even -- is that while there haven't been any new mini iPhones since the iPhone ...

As reported by Interesting Engineering, a team at the Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR) has developed a new sodium-ion battery design that offers some pretty incredible ...

Lithium–oxygen (Li–O₂) batteries are poised to revolutionize energy storage with their ultrahigh theoretical energy density.