Results 81 to 90 of about 2,575,718 (291)
Controlling the Energy-Level Alignment of Silicon Carbide Nanocrystals by Combining Surface Chemistry with Quantum Confinement [PDF]
, 2020 The knowledge of band edges in nanocrystals (NCs) and quantum-confined systems is important for band alignment in technologically significant applications such as water purification, decomposition of organic compounds, water splitting, and solar cells ...
Irvine, John T.S. +9 more
core +1 more source
Advanced Functional Materials, EarlyView.DNA strands are employed both as dynamic linkers and nanoscale templates for the integration of Ag2S nanoparticles on MoS2, which in turn imparted photothermal responsiveness; this feature permits the selective cargo (fluorophore, quantum dots or an enzyme) release from the MoS2 surface in response to local heat induced by light irradiation.
Kai Chen +3 more
wiley +1 more source
Slight Truncation Changes in Iron Oxide Nanocubes Strongly Affect Their Magnetic Properties
Advanced Functional Materials, EarlyView.Subtle variations in nanoparticle morphology can lead to significant changes in functional properties. An automated shape‐fitting method captures minor differences in corner truncation between iron oxide nanocubes of similar sizes synthesized under identical conditions, revealing pronounced disparities in their magnetic and hyperthermia behavior ...
Kingsley Poon +7 more
wiley +1 more source
Cellulose pyrolysis and quantum chemistry
, 1998 Cellulose is the major constituent of most plants of interest as renewable sources of energy and is the most extensively studied form of biomass or biomass constituent.
Green, Alex E. S. +1 more
core +2 more sources
Exploring Curvature Effects in Direct‐Written 3D Curved Hollow Magnetic Nanoshells
Advanced Functional Materials, EarlyView.Fabricated by a hybrid FEBID/CVD method, 3D PtC/Co3Fe core–shell heterostructures with engineered curvature and shell thickness exhibit complex reversal modes with axially symmetric N'eel‐type domain walls. XMCD‐PEEM combined with full‐scale micromagnetic simulations reveal how curvature and thickness govern the domain wall energy landscape and shape ...
Oleksii M. Volkov +10 more
wiley +1 more source
General Chemistry Without Orbitals
, 2020 We illustrate the solutions of Schroedinger\u27s equation for the hydrogen atom in coordinates of all four systems, and differentiate the applicability of orbitals in these four systems.
Lamoureux Lamontagne, Guy +5 more
core +1 more source
Quantum Magnifying Glass for Chemistry at the Nanoscale
, 2023 Nanoscopic systems exhibit diverse molecular substructures by which they facilitate spe- cific functions. Theoretical models of them, which aim at describing, understanding, and predicting these capabilities, are difficult to build.
Miguel, Steiner +2 more
core +1 more source
Algebraic Varieties in Quantum Chemistry
Foundations of Computational MathematicsAbstract We develop algebraic geometry for coupled cluster (CC) theory of quantum many-body systems. The high-dimensional eigenvalue problems that encode the electronic Schrödinger equation are approximated by a hierarchy of polynomial systems at various levels of truncation.
Fabian M. Faulstich +2 more
openaire +3 more sources
Ferroelectricity in Antiferromagnetic Wurtzite Nitrides
Advanced Functional Materials, EarlyView.We establish MnSiN2${\rm MnSiN}_2$ and MnGeN2${\rm MnGeN}_2$ as aristotypes of a new multiferroic wurtzite family that simultaneously exhibits ferroelectricity and antiferromagnetism with altermagnetic spin splitting. By strategically substituting alkaline‐earth metals, we predict new materials with coexisting switchable polarization, spin texture, and
Steven M. Baksa +3 more
wiley +1 more source
Polarizable Vanadium Dipoles Promote Water Dissociation on Vanadium‐Based Metal Organic Framework
Advanced Functional Materials, EarlyView.The polarization of unpaired V 3d electrons weakens the H─O bond to improve water dissociation by the dual Vδ+:O─H and Pλ−:H─O coupling hydrogen bonds formation and relaxation. P@V‐MOF electrocatalyst shows low overpotentials (94 mV in acid, 178 mV in neutral, and 77 mV in alkaline solutions) with excellent stability for effective overall water ...
Xinjuan Liu +13 more
wiley +1 more source