ionic crystal
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2022 ◽  
Vol 586 ◽  
pp. 126463
Author(s):  
Fabrizio Gangemi ◽  
Roberto Gangemi ◽  
Andrea Carati ◽  
Luigi Galgani

2021 ◽  
Vol 9 ◽  
Author(s):  
Eric C. O’Quinn ◽  
Devon L. Drey ◽  
Maik K. Lang

Fluorite-structured oxides constitute an important class of materials for energy technologies. Despite their high level of structural symmetry and simplicity, these materials can accommodate atomic disorder without losing crystallinity, making them indispensable for uses in environments with high temperature, changing chemical compositions, or intense radiation fields. In this contribution, we present a set of simple rules that predict whether a compound may adopt a disordered fluorite structure. This approach is closely aligned with Pauling’s rules for ionic crystal structures and Goldschmidt’s rules for ionic substitution.


2021 ◽  
Vol 5 (1) ◽  
Author(s):  
S. N. Neal ◽  
S. Li ◽  
T. Birol ◽  
J. L. Musfeldt

AbstractWe combine infrared absorption and Raman scattering spectroscopies to explore the properties of the heavy transition metal dichalcogenide 1T-HfS2. We employ the LO–TO splitting of the Eu vibrational mode along with a reevaluation of mode mass, unit cell volume, and dielectric constant to reveal the Born effective charge. We find $${Z}_{{\rm{B}}}^{* }$$ Z B *  = 5.3e, in excellent agreement with complementary first-principles calculations. In addition to resolving the controversy over the nature of chemical bonding in this system, we decompose Born charge into polarizability and local charge. We find α = 5.07 Å3 and Z* = 5.2e, respectively. Polar displacement-induced charge transfer from sulfur p to hafnium d is responsible for the enhanced Born charge compared to the nominal 4+ in hafnium. 1T-HfS2 is thus an ionic crystal with strong and dynamic covalent effects. Taken together, our work places the vibrational properties of 1T-HfS2 on a firm foundation and opens the door to understanding the properties of tubes and sheets.


2021 ◽  
Vol 2021 (16) ◽  
pp. 1531-1535
Author(s):  
Naoya Haraguchi ◽  
Tomoki Okunaga ◽  
Yuto Shimoyama ◽  
Naoki Ogiwara ◽  
Soichi Kikkawa ◽  
...  

2021 ◽  
Vol 133 (16) ◽  
pp. 9030-9041 ◽  
Author(s):  
Lili Liu ◽  
Ziyang Liu ◽  
Yongyuan Ren ◽  
Xiuyang Zou ◽  
Wansu Peng ◽  
...  
Keyword(s):  

Author(s):  
lili liu ◽  
Ziyang Liu ◽  
Yongyuan Ren ◽  
Xiuyang Zou ◽  
Wansu Peng ◽  
...  
Keyword(s):  

CrystEngComm ◽  
2021 ◽  
Vol 23 (13) ◽  
pp. 2509-2512
Author(s):  
Wen-Tao Xu ◽  
Jun-Chao Liu ◽  
Yu-Ling Zeng ◽  
Hua Zhang ◽  
Zhong-Xia Wang

An organic molecular-ionic crystal of (TPPO–H)2SO4 exhibits moderate NLO response which is twice that of KDP and competing hydrogen-bonding interactions triggered high-Tc phase transition.


2021 ◽  
Vol 45 (12) ◽  
pp. 5576-5588
Author(s):  
C. Sabarinathan ◽  
M. Karthikeyan ◽  
R. M. Murugappan ◽  
Savarimuthu Philip Anthony ◽  
Bhaskaran Shankar ◽  
...  

One-pot synthesis of POM-salt ([Himi]4[SiMo12O40] (1)) was achieved by mixing silicomolybdic acid and imidazole in acidic conditions and characterized by FTIR, TGA, SEM, EDX, ICP-OES and XPS.


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