Results 41 to 50 of about 23,049 (233)

Magnetic Control of Chiral Hybridized Phonon Magnetic Moments in Ferrimagnets Fe2‐xZnxMo3O8

Advanced Functional Materials, EarlyView.
Helicity‐resolved magneto‐Raman spectroscopy reveals magnetic control of chiral phonon magnetic moments in polar ferrimagnet (ZnxFe2−xMo3O₈). Large spontaneous zero‐field phonon splittings, selective phonon–magnon coupling, and asymmetric Zeeman responses demonstrate that phonon chirality is governed by magnon‐phonon coupling and magnetization.
Youngsu Choi, Dirk Wulferding, Amit Pawbake, Clément Faugeras, Sivasakthi Kuppusamy, Raman Sankar, Gichan Son, Jeongwoo Kim, Kwang‐Yong Choi   +8 more
wiley   +1 more source

Determination of Compton profiles at solid surfaces from first-principles calculations

, 2006
Projected momentum distributions of electrons, i.e. Compton profiles above the topmost atomic layer have recently become experimentally accessible by kinetic electron emission in grazing-incidence scattering of atoms at atomically flat single crystal ...
A. Kheifets, Andres Arnau, Christoph Lemell, Joachim Burgdörfer, K. Husimi, P. Hohenberg, W. Kohn   +6 more
core   +2 more sources

Computational Nanochemistry Report on the Oxicams—Conceptual DFT Indices and Chemical Reactivity

The Journal of Physical Chemistry B, 2013
A density functional theory study of eight oxicams was carried out in order to determine their global and local reactivities. These types of reactivities were measured by means of global and local reactivity descriptors coming from the conceptual density functional theory.
Martinez-Araya, Jorge Ignacio, Salgado-Moran, Guillermo, Glossman-Mitnik, Daniel   +2 more
openaire   +4 more sources

MOFs and COFs in Electronics: Bridging the Gap between Intrinsic Properties and Measured Performance

Advanced Functional Materials, EarlyView.
Metal‐organic frameworks (MOFs) and covalent organic frameworks (COFs) hold promise for advanced electronics. However, discrepancies in reported electrical conductivities highlight the importance of measurement methodologies. This review explores intrinsic charge transport mechanisms and extrinsic factors influencing performance, and critically ...
Jonas F. Pöhls, R. Thomas Weitz
wiley   +1 more source

Dynamical variational principles for strongly correlated electron systems

, 2005
The self-energy-functional approach (SFA) is discussed in the context of different variational principles for strongly correlated electron systems. Formal analogies between static and dynamical variational approaches, different types of approximation ...
Potthoff, Michael
core   +1 more source

Developing Dementia-Friendly Tourism Destinations: An Exploratory Analysis [PDF]

, 2014
Dementia is emerging as a global issue. Increases in life expectancy create an older population structure with accompanying health needs but also high lifestyle expectations.
Alzheimer’s Society, Anthea Innes, Argyle M., Bryman A., Cassolato C., Clare Cutler, Clift S., Hall C. M., House of Commons Commission and Local Government and Communities, Houston A., Innes A., Innes A., Johnson A., Kazeminia A., Kleiber D., Kuzamanov C., Luengo-Fernandez R., Mapes N., McCabe S., Morrison A., Page S. J., Paillard-Borg S., Prime Ministers Dementia Challenge, Ritchie J. B., Scott D., Smith D. M., Stationery Office, Stephen J. Page, Tedrick T., UNWTO, VisitEngland, Wilkes J., Woods S.   +32 more
core   +1 more source

From Single Atoms to Nanoparticles: Pathways Toward Efficient and Durable Pt/TiO2 Photocatalysts

Advanced Functional Materials, EarlyView.
Platinum single atoms on TiO2 nanosheets evolve into clusters and nanoparticles under ethanol photoreforming and thermal treatments. By controlling deposition and post‐treatments, particle size and location on specific facets are modulated. The study reveals how stability pathways determine efficiency, guiding the design of more durable photocatalysts.
Juan José Delgado, Enqi Bu, Yaning Han, Carlos López‐Cartes, Mónica Calatayud, Huiyan Pan, Xiaowei Chen   +6 more
wiley   +1 more source

Stability analysis of multiple nonequilibrium fixed points in self-consistent electron transport calculations

, 2011
We present a method to perform stability analysis of nonequilibrium fixed points appearing in self-consistent electron transport calculations. The nonequilibrium fixed points are given by the self-consistent solution of stationary, nonlinear kinetic ...
Dzhioev, Alan A., Kosov, D. S.
core   +1 more source

Covalent Organic Frameworks for Photocatalytic CO2 Reduction: Metal Integration Principles, Strategies and Functions

Advanced Functional Materials, EarlyView.
Covalent organic frameworks (COFs) with metals have been recognized as versatile platforms for photocatalytic CO2 reduction (CO2PRR). Herein, an overview of metal integration strategies for COFs is systematically summarized. Regulatory mechanisms and structure–activity relationships between metal integration and COF‐based CO2PRR are emphasized.
Jie He, Minxian Zhang, Jinqiang Zhang, Hongqi Sun, Shaobin Wang, Xiaoguang Duan   +5 more
wiley   +1 more source

First principles view on chemical compound space: Gaining rigorous atomistic control of molecular properties

, 2012
A well-defined notion of chemical compound space (CCS) is essential for gaining rigorous control of properties through variation of elemental composition and atomic configurations. Here, we review an atomistic first principles perspective on CCS.
von Lilienfeld, O. A.
core   +1 more source