scholarly journals Voting Data-Driven Regression Learning for Accelerating Discovery of Advanced Functional Materials and Applications to Two-Dimensional Ferroelectric Materials

2021 ◽  
Vol 12 (3) ◽  
pp. 973-981
Author(s):  
Xing-Yu Ma ◽  
Hou-Yi Lyu ◽  
Xue-Juan Dong ◽  
Zhen Zhang ◽  
Kuan-Rong Hao ◽  
...  
Keyword(s):  
Functional Materials ◽  
Ferroelectric Materials ◽  
Data Driven ◽  
Two Dimensional ◽  
Regression Learning

Giant tunnel electroresistance in ferroelectric tunnel junctions with metal contacts to two-dimensional ferroelectric materials

2021 ◽  
Vol 103 (12) ◽  
Author(s):  
Lili Kang ◽  
Peng Jiang ◽  
Hua Hao ◽  
Yanhong Zhou ◽  
Xiaohong Zheng ◽  
...  
Keyword(s):  
Tunnel Junctions ◽  
Ferroelectric Materials ◽  
Two Dimensional ◽  
Metal Contacts

Molecular Functionalization of 2D-Materials: From Atomically Planar 2D Architectures to Off-Plane 3D Functional Materials

2021 ◽  
Author(s):  
Adam Brill ◽  
Elad Koren ◽  
Graham de Ruiter
Keyword(s):  
2D Materials ◽  
Functional Materials ◽  
Two Dimensional ◽  
The Past ◽  
Two Dimensional Materials

Atomically thin two-dimensional materials (2DMs) have moved in the past 15 years from a serendipitously isolated single-layered graphene curiosity to a near technological renaissance, where 2DMs such as graphene and...

A new twofold interpenetrated two-dimensional cadmium(II) coordination polymer constructed from 2,2′-(benzene-1,4-dicarboxamido)dipropionate

2018 ◽  
Vol 74 (11) ◽  
pp. 1434-1439
Author(s):  
Hong-Tao Zhang ◽  
Xiao-Long Wang
Keyword(s):  
Coordination Polymer ◽  
Coordination Polymers ◽  
Self Assembly ◽  
Fluorescence Emission ◽  
Functional Materials ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Carboxylate Groups ◽  
Potential Applications

In recent years, much initial interest and enthusiasm has focused on the self-assembly of coordination polymers due to the aesthetics of their crystalline architectures and their potential applications as new functional materials. As part of an exploration of chiral coordination polymers, a new twofold interpenetrated two-dimensional (2D) coordination polymer, namely, poly[[tetraaquabis[μ3-(2R,2′R)-2,2′-(benzene-1,4-dicarboxamido)dipropionato-κ5 O,O′:O′′,O′′′:O′′]dicadmium(II)] trihydrate], {[Cd2(C14H14N2O6)2(H2O)4]·3H2O} n , has been synthesized by the reaction of Cd(CH3COO)2·2H2O with the designed ligand (2R,2′R)-2,2′-(benzene-1,4-dicarboxamido)dipropionic acid (H2 L). The compound has been structurally characterized by elemental analysis, IR spectroscopy, powder X-ray diffraction and single-crystal X-ray diffraction analysis. In the crystal structure, each CdII cation binds to three carboxylate groups from two crystallographically independent L 2− dianions. Four carboxylate groups link two crystallographically independent cadmium cations into a 4,4-connected secondary building unit (SBU). The resulting SBUs are extended into a two-dimensional folding sheet via the terephthalamide moiety of the ligand as a spacer, which can be simplified as a (4,4)-connected 4,4L15 net with the point symbol (3.53.62)(32.52.62). In the lattice, two independent folding sheets interpenetrate each other to yield a double-sheet layer. The resulting 2D layers pack in parallel arrays through intermolecular hydrogen bonds and interlayer π–π interactions. The thermal stability and photoluminescence properties of the title compound have been investigated and it exhibits an enhanced fluorescence emission and a longer lifetime compared with free H2 L.

scholarly journals Data-driven studies of magnetic two-dimensional materials

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Trevor David Rhone ◽  
Wei Chen ◽  
Shaan Desai ◽  
Steven B. Torrisi ◽  
Daniel T. Larson ◽  
...  
Keyword(s):  
Machine Learning ◽  
Dft Calculations ◽  
Density Functional ◽  
Magnetic Coupling ◽  
Magnetic Ordering ◽  
Magnetic Behavior ◽  
Data Driven ◽  
Two Dimensional ◽  
Computationally Efficient ◽  
Data Driven Approach

Abstract We use a data-driven approach to study the magnetic and thermodynamic properties of van der Waals (vdW) layered materials. We investigate monolayers of the form $$\hbox {A}_2\hbox {B}_2\hbox {X}_6$$ A 2 B 2 X 6 , based on the known material $$\hbox {Cr}_2\hbox {Ge}_2\hbox {Te}_6$$ Cr 2 Ge 2 Te 6 , using density functional theory (DFT) calculations and machine learning methods to determine their magnetic properties, such as magnetic order and magnetic moment. We also examine formation energies and use them as a proxy for chemical stability. We show that machine learning tools, combined with DFT calculations, can provide a computationally efficient means to predict properties of such two-dimensional (2D) magnetic materials. Our data analytics approach provides insights into the microscopic origins of magnetic ordering in these systems. For instance, we find that the X site strongly affects the magnetic coupling between neighboring A sites, which drives the magnetic ordering. Our approach opens new ways for rapid discovery of chemically stable vdW materials that exhibit magnetic behavior.

A Two-Dimensional Free Energy Model for Single Crystalline Ferroelectrics

2005 ◽  
Vol 881 ◽  
Author(s):  
Sang-Joo Kim ◽  
Stefan Seelecke ◽  
Brian L. Ball ◽  
Ralph C. Smith ◽  
Chang-Hoan Lee
Keyword(s):  
Free Energy ◽  
Evolution Equations ◽  
Saddle Points ◽  
Ferroelectric Materials ◽  
Energy Model ◽  
Two Dimensions ◽  
Two Dimensional ◽  
Energy Potential ◽  
Single Crystalline ◽  
Free Energy Model

AbstractThe one-dimensional free energy model for ferroelectric materials developed in [1-3] is general-ized to two dimensions. The proposed two-dimensional energy potential consists of four energy wells corresponding to four variants of the material, four saddle points representing the barriers for 900 switching processes, and a local energy maximum across which 1800-switching processes take place. The free energy potential is combined with the evolution equations based on the theory of thermally activated processes. The prediction of the model is compared with the recent measurements on a Ba- TiO3 single crystalline ferroelectric in [4]. The responses of the model at various loading frequencies are calculated and the kinetics of 900 and 1800 switching processes are discussed.

scholarly journals Highly efficient and flexible photodetector based on MoS2–ZnO heterostructures

RSC Advances ◽  
2019 ◽  
Vol 9 (34) ◽  
pp. 19707-19711 ◽  
Author(s):  
Min-A Kang ◽  
Seongjun Kim ◽  
In-Su Jeon ◽  
Yi Rang Lim ◽  
Chong-Yun Park ◽  
...  
Keyword(s):  
Transition Metal ◽  
Molybdenum Disulfide ◽  
Transition Metal Dichalcogenides ◽  
Functional Materials ◽  
Building Blocks ◽  
Two Dimensional ◽  
Highly Efficient ◽  
Metal Dichalcogenides ◽  
Flexible Photodetector

Two-dimensional transition metal dichalcogenides (TMDs) such as molybdenum disulfide, have recently attracted attention for their applicability as building blocks for fabricating advanced functional materials.

scholarly journals Two-dimensional hybrid organic–inorganic perovskites as emergent ferroelectric materials

2020 ◽  
Vol 128 (6) ◽  
pp. 060906 ◽  
Author(s):  
Yuchen Hou ◽  
Congcong Wu ◽  
Dong Yang ◽  
Tao Ye ◽  
Vasant G. Honavar ◽  
...  
Keyword(s):  
Ferroelectric Materials ◽  
Two Dimensional
Sign in / Sign up

Export Citation Format

Share Document