Results 131 to 140 of about 655,640 (396)

Enhanced Terahertz Spectroscopy of a Monolayer Transition Metal Dichalcogenide

Advanced Functional Materials, EarlyView.
An ad‐hoc engineered metallic surface is employed to perform enhanced terahertz spectroscopy of a monolayer transition metal dichalcogenide (TMD). Thanks to a local absorption boost of 104, this technique allows for the extraction of the phonon resonance features and effective permittivity of the 2D material, paving the way for the rational design of ...
Xin Jin, Vincenzo Aglieri, Young‐Gyun Jeong, Atiye Pezeshki, Lilian Skokan, Mostafa Shagar, Yuechen Jia, Pablo Bianucci, Andreas Ruediger, Emanuele Orgiu, Andrea Toma, Luca Razzari   +11 more
wiley   +1 more source

Off‐Stoichiometry Engineering of the Electrical and Optical Properties of SrNbO3 Using Oxide Molecular Beam Epitaxy

Advanced Functional Materials, EarlyView.
The plasma edge of transparent conducting oxide SrNbO3 shifts from ∼2 eV in the visible range to 1.37 eV in the near‐infrared region by off‐stoichiometry using the vacancy sites as quasi‐substitutional virtual elements. This work advances the stoichiometry engineering of perovskite oxides using oxide molecular beam epitaxy, allowing synthesis beyond ...
Jasnamol Palakkal, Alexey Arzumanov, Ruiwen Xie, Zhiyuan Li, Niloofar Hadaeghi, Thomas Wagner, Tianshu Jiang, Yating Ruan, Gennady Cherkashinin, Leopoldo Molina Luna, Hongbin Zhang, Lambert Alff   +11 more
wiley   +1 more source

Inhibitory Effect of Some Methylxanthines on Copper Corrosion in 1M HNO3: Experimental, DFT and QSPR Studies [PDF]

Journal of Pure and Applied Chemistry Research, 2021
Inhibition corrosion of metals by using organic compounds has become an unavoidable means. So, in this work, the effect of methylxanthines on copper corrosion inhibition in 1M HNO3 was investigated by mass loss measurements and by two theoretical ...
Victorien Kouakou, Mougo André Tigori, Amadou Kouyaté, Paulin Marius Niamien   +3 more
doaj  

A simplified density functional theory method for charged adsorbates on an ultrathin, insulating film supported by a metal substrate

, 2013
A simplified density functional theory (DFT) method for charged adsorbates on an ultrathin, insulating film supported by a metal substrate is developed and presented.
Persson, Mats, Scivetti, Ivan
core   +2 more sources

Numerical Applications of DFT

, 2018
This chapter addresses numerical applications of DFTs. In Sect. 9.1, we describe a powerful multidimensional approximation method, the so-called cardinal interpolation by translates φ(⋅ −k) with \(\mathbf k \in {\mathbb Z}^d\), where \(\varphi \in C_c(\mathbb R^d)\) is a compactly supported, continuous function.
Plonka, Gerlind, Potts, Daniel, Steidl, Gabriele, Tasche, Manfred, Plonka, Gerlind, Potts, Daniel, Steidl, Gabriele, Tasche, Manfred   +7 more
openaire   +3 more sources

Nanoscale Agglomeration Mechanisms of BF‐DPB:BPyMPM Donor–Acceptor Systems for Organic Optoelectronic Devices

Advanced Functional Materials, EarlyView.
The intermolecular and molecule‐substrate interactions and resulting molecular assembly of the OLED and OPV donor and acceptor molecules BF‐DPB and BPyMPM are investigated on different single crystalline substrates using high‐resolution scanning probe microscopy.
Milena Merkel, Philipp Wiesener, Robert Schmidt, Rishi Shivhare, Nikos Doltsinis, Rudolf Bratschitsch, Saeed Amirjalayer, Koen Vandewal, Harry Mönig   +8 more
wiley   +1 more source

The study of optical and colossal dielectric properties of (Cu, Ga)-doped ZnO nanoparticles

Engineering and Applied Science Research, 2021
In this work, we have studied optical and dielectric properties of (Ga, Cu)-doped ZnO nanoparticles in both theoretical and experimental aspects. In an experimental approach, we have synthesized ZnO, Ga-doped ZnO, Cu-doped ZnO, and (Ga, Cu)-codoped ZnO ...
Theeranuch Nachaithong, Pornsawan Sikam, Pairot Moontragoon, Prasit Thongbai, Thanayut Kaewmaraya, Zoran Ikonic   +5 more
doaj  

Hermitian Symmetric DFT Codes: A New Class of Complex DFT Codes

IEEE Transactions on Signal Processing, 2012
We introduce a new class of real number codes derived from DFT matrix, Hermitian symmetric DFT (HSDFT) codes. We propose a new decoding algorithm based on coding-theoretic as well as subspace based approach. Decoding of HSDFT codes requires only real arithmetic operations and smaller dimension matrices compared to the decoding of the state-of-art real ...
Kumar, A. Anil, Makur, Anamitra
openaire   +3 more sources

Making Photoresponsive Metal–Organic Frameworks an Effective Class of Heterogeneous Photocatalyst

Advanced Functional Materials, EarlyView.
This review summarizes photoresponsive MOFs for photocatalytic applications, focusing on their capacity to enhance light harvesting, charge transfer, and surface reactions. While existing studies provide foundational insights, emerging characterization techniques enable a deeper understanding of photoresponsive MOFs.
Rui Liu, Hao Wu, Hoi Ying Chung, Yun Hau Ng   +3 more
wiley   +1 more source

The interaction of morin and morin-5’-sulfonic acid with lead(II): Study of the 1:1 complex formation process in aqueous solution

Main Group Metal Chemistry, 2019
This article focuses on the aqueous complexation between two flavonoids (morin and morinsulfonate) and Pb2+ at constant ionic strength I=0.5 M (NaClO4). The determination of stability constants of ML complexes were performed at wide pH range.
Lutoshkin Maxim A., Kuznetsov Boris N., Levdanskiy Vladimir A.   +2 more
doaj   +1 more source