Sensing mechanism of ethanol and acetone at room temperature by SnO2 nano-columns synthesized by aerosol routes: theoretical calculations compared to experimental results

2018 ◽  
Vol 6 (5) ◽  
pp. 2053-2066 ◽  
Author(s):  
Ahmed A. Abokifa ◽  
Kelsey Haddad ◽  
John Fortner ◽  
Cynthia S. Lo ◽  
Pratim Biswas

A useful feedback loop: insights from theoretical calculations are used for rational design of nanosensors and for elucidating surface interactions.

PCI Journal ◽  
2011 ◽  
Vol 56 (2) ◽  
pp. 88-112 ◽  
Author(s):  
Gregory Lucier ◽  
Catrina Walter ◽  
Sami Rizkalla ◽  
Paul Zia ◽  
Gary Klein

2020 ◽  
Author(s):  
Yunzhong Wang ◽  
Saixing Tang ◽  
Yating Wen ◽  
Shuyuan Zheng ◽  
Bing Yang ◽  
...  

<div>Persistent room-temperature phosphorescence (p-RTP) from pure organics is attractive </div><div>due to its fundamental importance and potential applications in molecular imaging, </div><div>sensing, encryption, anticounterfeiting, etc.1-4 Recently, efforts have been also made in </div><div>obtaining color-tunable p-RTP in aromatic phosphors5 and nonconjugated polymers6,7. </div><div>The origin of color-tunable p-RTP and the rational design of such luminogens, </div><div>particularly those with explicit structure and molecular packing, remain challenging. </div><div>Noteworthily, nonconventional luminophores without significant conjugations generally </div><div>possess excitation-dependent photoluminescence (PL) because of the coexistence of </div><div>diverse clustered chromophores6,8, which strongly implicates the possibility to achieve </div><div>color-tunable p-RTP from their molecular crystals assisted by effective intermolecular </div><div>interactions. Here, inspirited by the highly stable double-helix structure and multiple </div><div>hydrogen bonds in DNA, we reported a series of nonconventional luminophores based on </div><div>hydantoin (HA), which demonstrate excitation-dependent PL and color-tunable p-RTP </div><div>from sky-blue to yellowish-green, accompanying unprecedentedly high PL and p-RTP </div><div>efficiencies of up to 87.5% and 21.8%, respectively. Meanwhile, the p-RTP emissions are </div><div>resistant to vigorous mechanical grinding, with lifetimes of up to 1.74 s. Such robust, </div><div>color-tunable and highly efficient p-RTP render the luminophores promising for varying </div><div>applications. These findings provide mechanism insights into the origin of color-tunable </div><div>p-RTP, and surely advance the exploitation of efficient nonconventional luminophores.</div>


2020 ◽  
Author(s):  
Zeyu Liu ◽  
Shugui Hua ◽  
Tian Lu ◽  
Ziqi Tian

Inspired by a previous experimental study on the first-order hyperpolarizabilities of 1,3-thiazolium-5-thiolates mesoionic compounds using Hyper-Rayleigh scattering technique, we theoretically investigated the UV-Vis absorption spectra and every order polarizabilities of these mesoionic molecules. Based on the fact that the photophysical and nonlinear properties observed in the experiment can be perfectly replicated, our theoretical calculations explored the essential characteristics of the optical properties of the mesoionic compounds with different electron-donating groups at the level of electronic structures through various wave function analysis methods. The influence of the electron-donating ability of the donor on the optical properties of the molecules and the contribution of the mesoionic ring moiety to their optical nonlinearity are clarified, which have not been reported by any research so far. This work will help people understand the nature of optical properties of mesoionic-based molecules and provide guidance for the rational design of molecules with excellent photoelectric performance in the future.


2020 ◽  
Vol 9 (5) ◽  
pp. 10624-10634
Author(s):  
Siti Nor Aliffah Mustaffa ◽  
Nurul Assikin Ariffin ◽  
Ahmed Lateef Khalaf ◽  
Mohd. Hanif Yaacob ◽  
Nizam Tamchek ◽  
...  

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Yan Li ◽  
Yang Li ◽  
Peng Li ◽  
Bin Fang ◽  
Xu Yang ◽  
...  

AbstractNonmagnetic Rashba systems with broken inversion symmetry are expected to exhibit nonreciprocal charge transport, a new paradigm of unidirectional magnetoresistance in the absence of ferromagnetic layer. So far, most work on nonreciprocal transport has been solely limited to cryogenic temperatures, which is a major obstacle for exploiting the room-temperature two-terminal devices based on such a nonreciprocal response. Here, we report a nonreciprocal charge transport behavior up to room temperature in semiconductor α-GeTe with coexisting the surface and bulk Rashba states. The combination of the band structure measurements and theoretical calculations strongly suggest that the nonreciprocal response is ascribed to the giant bulk Rashba spin splitting rather than the surface Rashba states. Remarkably, we find that the magnitude of the nonreciprocal response shows an unexpected non-monotonical dependence on temperature. The extended theoretical model based on the second-order spin–orbit coupled magnetotransport enables us to establish the correlation between the nonlinear magnetoresistance and the spin textures in the Rashba system. Our findings offer significant fundamental insight into the physics underlying the nonreciprocity and may pave a route for future rectification devices.


Vacuum ◽  
2019 ◽  
Vol 166 ◽  
pp. 37-44 ◽  
Author(s):  
R.P. Patil ◽  
Chaitanya Hiragond ◽  
G.H. Jain ◽  
Pawan K. Khanna ◽  
V.B. Gaikwad ◽  
...  

2013 ◽  
Vol 690-693 ◽  
pp. 1713-1717 ◽  
Author(s):  
Hong Qiang Guo ◽  
Hua Li ◽  
Yi Chen Sun ◽  
Wei Wei Yu

In this paper, a series of bending cyclic tests under stress controlled were conducted at room temperature on Zircaloy-4 (Zr-4) to investigate its bending ratcheting behavior. The effects of mean stress and stress amplitude on the bending ratcheting behavior were experimentally studied, respectively. The experimental results show that the ratcheting strain of the material is very sensitive to mean stress and stress amplitude. It can be concluded that ratcheting strain level increases with increasing mean stress and stress amplitude.


Author(s):  
Thomas A. Whittle ◽  
Christopher J. Howard ◽  
Siegbert Schmid

The room-temperature structure of the filled tetragonal tungsten bronze, Ba2NaNb5O15 (BNN), has been the subject of a number of studies, and these studies have given an almost corresponding number of different results. From a group theoretical examination of the different possibilities and a review of the published experimental results we conclude that the room-temperature structure is that proposed by Labbé et al. [J. Phys. Condens. Matter (1989), 2, 25–43] in the space group Bbm2 (Ama2 in standard setting) on a 2\sqrt{2}a × \sqrt{2}a × 2c cell. Upon heating, the structure remains ferroelectric but becomes tetragonal (space group P4bm) at 550 K, then paraelectric (space group P4/mbm) at and above 860 K.


Sign in / Sign up

Export Citation Format

Share Document