Results 291 to 300 of about 2,072,080 (375)

Trace Nickel Activated Biphasic Core‐CuOii/Shell‐CuOi Secondary Microspheres Enable Room Temperature Parts‐Per‐Trillion‐Level NO2 Detection

Advanced Engineering Materials, EarlyView.
An idea of designing novel sensors is proposed by creating appropriate Schottky barriers and vacancies between isomorphous Core‐CuOii/ Shell‐CuOi secondary microspheres and enhancing catalytic and spill‐over effects, and electronegativity via spontaneous biphasic separation, self‐assembly, and trace‐Ni‐doping.
Bala Ismail Adamu, Peipei Chen, Shafia Mukhtar Ibrahim, Mukhtar Lawan Adam, Attia Falak, Mokhotjwa Simon Dhlamini, Hanfu Wang, Lingxiang Jiang, Weiguo Chu   +8 more
wiley   +1 more source

Excitons in Epitaxially Grown WS₂ on Graphene: A Nanometer-Resolved Electron Energy Loss Spectroscopy and Density Functional Theory Study. [PDF]

ACS Nano
Bergmann M, Belz J, Maßmeyer O, Ojaghi Dogahe B, Günkel R, Glowatzki J, Beyer A, Solovev I, Drawer JC, Esmann M, Pasko S, Krotkus S, Heuken M, Wippermann S, Volz K.   +14 more
europepmc   +1 more source

Enabling Digital Continuity in Virtual Manufacturing for Eco‐Efficiency Assessment of Lightweight Structures by Means of a Domain‐Specific Structural Mechanics Language: Requirements, Idea and Proof of Concept

Advanced Engineering Materials, EarlyView.
This article presents a solver‐agnostic domain‐specific language (DSL) for computational structural mechanics that strengthens interoperability in virtual product development. Using a hierarchical data model, the DSL enables seamless exchange between diverse simulation tools and numerical methods.
Martin Rädel, Andreas Schuster, Felix Schoenitz, Jean Lefèvre   +3 more
wiley   +1 more source

Density functional theory-accelerated design of perovskite quantum dots: unlocking atomic-level control for next-generation optoelectronics and sensors. [PDF]

RSC Adv
Al Omari RH, Aldulaimi A, Rekha MM, Ray S, Salim Waleed O, Surya CP, Sharma R, Jain V, Noorizaeh H.   +8 more
europepmc   +1 more source

Density Functional Theory [PDF]

, 1983
openaire   +1 more source

Recent Advancements in Bulk Processing of Rare‐Earth‐Free Hard Magnetic Materials and Related Multiscale Simulations

Advanced Engineering Materials, EarlyView.
This article provides an overview of recent advancements in bulk processing of rare‐earth‐free hard magnetic materials. It also addresses related simulation approaches at different scales. The research on rare‐earth‐free magnetic materials has increased significantly in recent years, driven by supply chain issues, environmental and social concerns, and
Daniel Scheiber, Andrea Bachmaier
wiley   +1 more source

Synergistic Defect and Halide Catalysis for CO₂ Cycloaddition on ZIF-8: Mechanistic and Energetic Insights from Density Functional Theory. [PDF]

Chemphyschem
Chan CW, Chen HL, Chen HT.
europepmc   +1 more source

Screen‐Printed Flexible Piezoelectric Force Sensor Array with Electromagnetic Interference Shielding

Advanced Engineering Materials, EarlyView.
This article introduces a flexible screen‐printed piezoelectric sensor array designed for low‐frequency healthcare applications such as tactile sensing and cardiovascular monitoring. The device integrates interface electronics enabling the simultaneous acquisition of up to 128 signals, along with flexible EMI shielding that significantly reduces noise ...
Joseph Faudou, Mohammed Benwadih, Arnaud Gabas, Lina Kadura, Minh‐Quyen Le, Daniel Grinberg, Pierre‐Jean Cottinet   +6 more
wiley   +1 more source

ReaxFF Parameter Set for Boron Clusters and Icosahedral Boron Crystals: Comparison with Density Functional Theory and Machine-Learning Potentials. [PDF]

J Phys Chem C Nanomater Interfaces
Ahmadisharaf A, van Duin ACT, Liu B, Evans D, Sabouri S, Comer J.   +5 more
europepmc   +1 more source

Bimetallic (NiFe) and Trimetallic (NiFeCr) Nanoalloys from Metal Oxides Using a Microwave Hydrogen Plasma

Advanced Engineering Materials, EarlyView.
Bimetallic (NiFe) and trimetallic (NiFeCr) nanoalloys (NAs) are synthesized using corresponding oxide mixtures using microwave hydrogen plasma within a few milliseconds. The process simultaneously 1) reduces metal oxides to metals; 2) downsizes the particles from micrometers to nanometers; and 3) blends the metals to form NAs.
Sachin Kumar, Mohammad Kazemi, Zichang Xiong, Thomas Cameron, Julian Held, Uwe Kortshagen   +5 more
wiley   +1 more source