Results 31 to 40 of about 51,825 (244)
Strategies of Supercell’s Success
Supercell, known as video game company, that is the best at making money, had developed a value of over 10 billion dollars by running only 5 games. All of their games earned more than a billion dollars with over one billion downloads in total. There must be a lot worth studying their strategies.
openaire +2 more sources
Exact Coulomb cutoff technique for supercell calculations [PDF]
Submitted to Physical Review B on Dec 23rd ...
Carlo Rozzi +4 more
openaire +4 more sources
Excitonic properties of F-centers in $\alpha$-alumina from First Principles Calculation
We use state-of-the art GW-BSE formalism to study electronic structure and optical properties of oxygen vacancies in $\alpha$-alumina. Many body perturbation theory within GW approximation in recent years have been used extensively to study excited state
Biswas, Tathagata, Jain, Manish
core +1 more source
InSb, a narrow‐bandgap semiconductor with high carrier mobility, is promising for thermoelectric energy conversion but suffers from high lattice thermal conductivity and strong bipolar conduction. Here, in situ interface engineering using Co2O3 nanoprecursors forms hierarchical CoSbx/In2O3/CoSb3 heterostructures that enhance phonon scattering and ...
Jiwu Xin +10 more
wiley +1 more source
Solvent Co‐Intercalation Enabled Ca Storage in MoS2 for Ca‐Ion Batteries
Regulating electrolyte solvation levels enables otherwise non‐intercalatable Ca2+ ions to reversibly co‐intercalate into molybdenum disulfide (MoS2) as ether‐solvated species. The intercalation reversibility is strongly governed by solvent chain length, as demonstrated using diethylene glycol dimethyl ether (G2) and tetraethylene glycol dimethyl ether (
Yudong Luo +10 more
wiley +1 more source
Ab initio calculations of the concentration dependent band gap reduction in dilute nitrides
While being of persistent interest for the integration of lattice-matched laser devices with silicon circuits, the electronic structure of dilute nitride III/V-semiconductors has presented a challenge to ab initio computational approaches.
Bannow, Lars C. +6 more
core +1 more source
The influence of defects on magnetic properties of fcc-Pu [PDF]
The influence of vacancies and interstitial atoms on magnetism in Pu has been considered in frames of the Density Functional Theory (DFT). The relaxation of crystal structure arising due to different types of defects was calculated using the molecular ...
A B Shick +30 more
core +1 more source
A fluorine‐rich acrylate monomer (PFHEA) was solvent‐free applied to NCM90 and thermally decomposed under Ar to convert residual lithium into LiF and form a pre‐built LiF/fluorinated amorphous carbon (LiF/FC) interphase. The LiF/FC layer suppresses NiO rock‐salt reconstruction and microcrack propagation, lowers interfacial resistance, and improves Li ...
Pangyu Kim +6 more
wiley +1 more source
Origin of bulk uniaxial anisotropy in zinc-blende dilute magnetic semiconductors
It is demonstrated that the nearest neighbor Mn pair on the GaAs (001) surface has a lower energy for the [-110] direction comparing to the [110] case. According to the group theory and the Luttinger's method of invariants, this specific Mn distribution ...
C. Śliwa +4 more
core +1 more source
Unveiling the Role of Curvature in Carbon for Improved Energy Release of Ammonium Perchlorate
High‐curvature carbon materials identified via machine learning and simulation can enhance the heat release and combustion performance of ammonium perchlorate. ABSTRACT The catalytic role of carbon curvature in the thermal decomposition of ammonium perchlorate (AP) remains largely unexplored. To address this gap, this study employs machine learning and
Dan Liu +8 more
wiley +1 more source

