Results 121 to 130 of about 2,714,905 (353)

Large-Scale Condensed Matter DFT Simulations: Performance and Capabilities of the CRYSTAL Code.

open access: yesJournal of Chemical Theory and Computation, 2017
Nowadays, the efficient exploitation of high-performance computing resources is crucial to extend the applicability of first-principles theoretical methods to the description of large, progressively more realistic molecular and condensed matter systems ...
A. Erba   +4 more
semanticscholar   +1 more source

Advanced Nano‐Fibrillated Cellulose/Modified MXene Janus Membrane for Continuous 24‐h Water‐Power Co‐Generation

open access: yesAdvanced Functional Materials, EarlyView.
The Janus membrane integrates a superhydrophilic CNF@CTAB‐MXene layer with a superhydrophobic PTFE layer, enabling efficient solar‐driven water evaporation and electricity generation. It achieves an evaporation rate of 1.51 kg m−2 h−1 with excellent salt resistance and long‐term stability.
Yinan Li   +7 more
wiley   +1 more source

Machine Learning‐Enabled Polymer Discovery for Enhanced Pulmonary siRNA Delivery

open access: yesAdvanced Functional Materials, EarlyView.
This study provides an efficient approach to train a machine learning model by merging heterogeneous literature data to predict suitable polymers for siRNA delivery. Without the need for extensive laboratory synthesis, the machine learning enabled a virtual screening and successfully predicted a polymer that is validated for effective gene silencing in
Felix Sieber‐Schäfer   +10 more
wiley   +1 more source

MnI‐Functionalized Covalent Organic Framework as Efficient Electrocatalyst for CO2 Reduction in a Catholyte‐Free Zero‐Gap Electrolyzer

open access: yesAdvanced Functional Materials, EarlyView.
This work demonstrates the successful integration of a phenanthroline‐based 2D COF with MnI catalytic sites into a catholyte‐free membrane‐electrode‐assembly cell for CO2 electroreduction. The crystalline COF actively suppresses Mn⁰–Mn⁰ dimerization, achieving a turnover frequency of 617 h⁻¹ at 2.8 V (full‐cell potential), and enabling stable operation.
Laura Spies   +8 more
wiley   +1 more source

A route for a strong increase of critical current in nanostrained iron-based superconductors

open access: yesNature Communications, 2016
Simultaneous increase of critical temperature and critical current in superconductors is desirable for application purpose, but very difficult to realize. Here, Ozaki et al. report a simultaneous enhancement of Tc and Jc in FeSe0.5Te0.5films with cascade
Toshinori Ozaki   +7 more
doaj   +1 more source

Causal structure of interacting Weyl fermions in condensed matter systems. [PDF]

open access: yesNat Commun, 2023
Chiu WC   +14 more
europepmc   +1 more source

Polarons in condensed matter

open access: yes
Polarons are composite quasiparticles comprising electronic charge carriers taken together with the alterations they induce in surrounding condensed matter. Strong-coupling polarons form when electronic charge carriers become self-trapped: bound within potential wells stabilized by carriers presence.
openaire   +2 more sources

Vierbein walls in condensed matter [PDF]

open access: yesJournal of Experimental and Theoretical Physics Letters, 1999
The effective field, which plays the part of the vierbein in general relativity, can have topologically stable surfaces, vierbein domain walls, where the effective contravariant metric is degenerate. We consider vierbein walls separating domains with the flat space-time which are not causally connected at the classical level. Possibility of the quantum
openaire   +3 more sources

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