DFT study shows bismuth doping sharply narrows the bandgap of α-Al₂O₃
Density functional theory calculations indicate that 16.66% bismuth doping reduces the bandgap of α-Al₂O₃ from 6.47 eV to 2.90 eV ...
Tag: computational materials science
First-principles calculations map how H2 and CO adsorb on Ni surfaces
A first-principles study has mapped the adsorption configurations and energetics of H2 and CO on the low-index (100), (110), and ...
Computer models flag rubidium-gold fluoride perovskites as lead-free candidates for solar and thermoelectric devices
A new DFT study predicts that the lead-free fluoride double perovskites Rb₂AuCoF₆ and Rb₂AuRhF₆ combine visible-range band gaps, strong absorption ...
Springer Nature launches Discover Metals as open-access home for metals research
Springer Nature has launched Discover Metals, an open-access, peer-reviewed journal continuing and expanding Gold Bulletin to cover the full breadth ...
From quantum computing shortcuts to anniversary celebrations: physics news across the Asia-Pacific
A new matrix P-representation promises faster validation of Gaussian boson sampling quantum computers, while physics institutions across the Asia-Pacific mark ...
Computational method predicts thousands of new exfoliable 2D materials from ordinary crystals
A new computational method from HZDR and TU Dresden predicts separable atomic layers in any crystal, identifying 2,531 promising two-dimensional ...
Computational review maps how precipitate traits control alloy strength
A Journal of Materials Science review organizes multiscale computational modelling evidence to show which precipitate parameters control the cutting-to-bypass transition ...
NJIT Researcher Wins DOE Early Career Award to Decode Why Metals Fail at Their Weakest Points
NJIT assistant professor Nutth Tuchinda has won a 2026 DOE Early Career Research Program award to study how entropy governs ...
AI Learns to Design Materials by Predicting Their Electrons, Not Just Their Atoms
Researchers at the University of Tokyo have extended a generative AI model to jointly design crystal structures and local electronic ...
New quantum simulations expose hidden energy loss in spin defects
University of Chicago researchers have built a first-principles framework that fully models how spin defects shed energy, revealing a previously ...
-
Mothers who receive childcare support from maternal grandparents show more parental warmth, finds NTU Singapore study
-
University of Seville Breaks 120-Year-Old Mystery, Revises a Key Einstein Concept
-
Bee body mass, pathogens and local climate influence heat tolerance
-
Researchers record first-ever images and data of a shark experiencing a boat strike
-
Groundbreaking Clinical Trial Reveals Lubiprostone Enhances Kidney Function
Embark on a thrilling journey of discovery with Scienmag.com—your ultimate source for cutting-edge breakthroughs. Immerse yourself in a world where curiosity knows no limits and tomorrow’s possibilities become today’s reality!