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pro vyhledávání: '"A. Bâldea"'
We report a data-parsimonious machine learning model for short-term forecasting of solar irradiance. The model inputs include sky camera images that are reduced to scalar features to meet data transmission constraints. The output irradiance values ar
Externí odkaz:
http://arxiv.org/abs/2403.12873
Autor:
Baldea, Ioan
Publikováno v:
J. Phys. Chem. Lett. 2024, 15, 2916
Choosing self-assembled monolayers (SAM) of fluorine terminated oligophenylenes adsorbed on gold as illustration, we show that a single level (molecular orbital, MO) model can excellently reproduce full I-V curves measured for large area junctions fa
Externí odkaz:
http://arxiv.org/abs/2402.14462
Autor:
Baldea, Ioan
Publikováno v:
Phys. Chem. Chem. Phys. 2024
The proposed protocol is an attempt to meet the experimentalists' legitimate desire of reliably and easily extracting microscopic parameters from current-voltage measurements on molecular junctions. It applies to junctions wherein charge transport do
Externí odkaz:
http://arxiv.org/abs/2402.10037
Autor:
Baldea, Ioan
Publikováno v:
Phys. Chem. Chem. Phys. 2024
{Analytical equations like Richardson-Dushman's or Shockley's provided a general, if simplified conceptual background, which was widely accepted in conventional electronics and made a fundamental contribution to advances in the field. In the attempt
Externí odkaz:
http://arxiv.org/abs/2311.14415
Autor:
Baldea, Ioan
Publikováno v:
Phys. Chem. Chem. Phys. 2023
Routinely, experiments on tunneling molecular junctions report values of conductances ($G_{RT}$) and currents ($I_{RT}$) measured at room temperature. On the other side, theoretical approaches based on simplified models provide analytic formulas for
Externí odkaz:
http://arxiv.org/abs/2302.09156
Autor:
Baldea, Ioan
Publikováno v:
Phys. Chem. Chem. Phys. 2024
The present Comment demonstrates important flaws of the paper Phys. Chem. Chem. Phys. 2022, 24, 11958 by Opodi~\emph{et al.} Their crown result (``applicability map'') aims at indicating parameter ranges wherein two approximate methods (called method
Externí odkaz:
http://arxiv.org/abs/2302.08832
Autor:
Baldea, Ioan
Publikováno v:
Int. J. Mol. Sci. 23 (23) 14985 (2022)
Temperature ($T$) dependent conductance $G = G(T)$ data measured in molecular junctions are routinely taken as evidence for a two-step hopping mechanism. The present paper emphasizes that this is not necessarily the case. A curve of $\ln G$ versus $1
Externí odkaz:
http://arxiv.org/abs/2211.15815
Autor:
Baldea, Ioan
Publikováno v:
Adv. Theor. Simul. 5(7), 202200158 (2022)
We show that the conductance $G$ of molecular tunnel junctions wherein the charge transport is dominated by a single energy level can be expressed in closed analytic form which is exact and valid at arbitrary temperature $T$ and model parameter value
Externí odkaz:
http://arxiv.org/abs/2210.12544
Autor:
Baldea, Ioan
Publikováno v:
Molecules, 27 (15), 5036 (2022)
The pharmaceutical success of atorvastatin (ATV), a widely employed drug against the "bad" cholesterol (LDL) and cardiovascular diseases, traces back to its ability to scavenge free radicals. Unfortunately, information on its antioxidant properties i
Externí odkaz:
http://arxiv.org/abs/2208.07987
Autor:
Baldea, Ioan
In this communication we draw attention on serious flaws that plague recently reported antioxidant properties of atorvastatin (ATV) in methanol. First and foremost, we emphasize that the O-H bond dissociation energies (BDE) of about 400\,kcal/mol pre
Externí odkaz:
http://arxiv.org/abs/2206.13990