Results 151 to 160 of about 358,493 (263)

High-Capacityand Reversible Hydrogen Storage in an Intrinsic Li₃B₂N₂ Monolayer. [PDF]

Nanomaterials (Basel)
Yu H, Chen J, Hao J, Niu C, Xu M, Li Y.
europepmc   +1 more source

Foundational Machine‐Learning Interatomic Potential for Simulating Chemically Complex Ni‐Based Superalloys

Advanced Engineering Materials, EarlyView.
We apply a foundational machine‐learning interatomic potential based on the graph atomic cluster expansion (GRACE) to simulate the commercial Ni‐based single‐crystal superalloy CMSX‐4. Hybrid Monte‐Carlo/molecular dynamics sampling resolves short‐range order in the γ phase and L12 sublattice occupancies in the γ’ phase and connects them to stacking ...
Aditya Vishwakarma, Sarath Menon, Fritz Körmann, Thomas Hammerschmidt, Ralf Drautz   +4 more
wiley   +1 more source

Density Functional Theory Study of the Electronic, Structural, and Optical Properties of ZrS₂ and ZrSeS: Showcasing a Thorough Analysis Using DFT and DFT+U. [PDF]

ACS Omega
Edossa TG.
europepmc   +1 more source

Uniform Amorphization of Crystalline Silicon Surfaces Enabled by Deep Ultraviolet Femtosecond Laser Pulses

Advanced Engineering Materials, EarlyView.
Deep‐UV (258 nm) femtosecond pulses enable uniform amorphous silicon writing on Si(100)/(111) with a six‐fold larger fluence amorphization window than NIR methods. Optimized fluence and overlap yield 20–45 nm uniform and continuous amorphous layers. Microscopy shows sharp interfaces, and real‐time reflectivity reveals nanosecond melt–resolidification ...
Wissal Benali, Magali Gregoire, Matys Guyard, Tatiana Itina, David Grojo, Pol Sopeña   +5 more
wiley   +1 more source

Compositional profiling for biodegradable medical devices: a framework for degradation-informed exposure and risk assessment. [PDF]

Front Toxicol
Wilsey J, Potapova I, Wu S, Weng MW, Lewis M, Wang H, Rufer E, Bellows D, Kamberi M.   +8 more
europepmc   +1 more source

Printed Integrated Logic Circuits Based on Chitosan‐Gated Organic Transistors for Future Edible Systems

Advanced Functional Materials, EarlyView.
Edible electronics needs integrated logic circuits for computation and control. This work presents a potentially edible printed chitosan‐gated transistor with a design optimized for integration in circuits. Its implementation in integrated logic gates and circuits operating at low voltage (0.7 V) is demonstrated, as well as the compatibility with an ...
Giulia Coco, Valerio Francesco Annese, Valerio Galli, Ilaria Penna, Debora Russo, Marina Veronesi, Rita Scarpelli, Stefania Sabella, Mario Caironi   +8 more
wiley   +1 more source

Strain- and chirality-engineered tunability of electronic and thermoelectric properties in SiC nanotubes: insights from first-principles calculations. [PDF]

RSC Adv
Hussain I, Islam ASMJ, Tanha TT, Islam MM.   +3 more
europepmc   +1 more source

Biomass Native Structure Into Functional Carbon‐Based Catalysts for Fenton‐Like Reactions

Advanced Functional Materials, EarlyView.
This study indicates that eight biomasses with 2D flaky and 1D acicular structures influence surface O types, morphology, defects, N doping, sp2 C, and Co nanoparticles loading in three series of carbon, N‐doped carbon, and cobalt/graphitic carbon. This work identifies how these structural factors impact catalytic pathways, enhancing selective electron
Wenjie Tian, Jingkai Lin, Zhihao Tian, Selusiwe Ncube, Huayang Zhang, Emiliano Cortés, Hongqi Sun, Shaobin Wang   +7 more
wiley   +1 more source

Decoding the hydrogen storage and functional properties of MgBH₃ (B = Mo and In) <i>via</i> first-principles simulations. [PDF]

RSC Adv
Parves MS, Mia MH, Alsalmi O, Hasan MZ.
europepmc   +1 more source