Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Molecular Models02:00

Molecular Models

Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Machine-learning-assisted discovery of a stable Li<sub>3</sub>As<sub>2</sub> intermediate phase in the Li-As binary system and its electrochemical implications.

Physical chemistry chemical physics : PCCP·2026
Same author

High-throughput screening of two-dimensional ferromagnetic materials with high Curie temperatures.

Nanoscale·2026
Same author

Global burden of diabetes and depression (1990-2021), global burden trends, and the impact of vitamin D on diabetes and depression: A multidimensional analysis based on GBD and NHANES.

Journal of affective disorders·2026
Same author

Growth of centimeter-scale multilayer hexagonal boron nitride films using metal-boride-vapor CVD.

Nanoscale·2026
Same author

Ferroelectric Control of Magnetism and Giant Magnetoresistance Via Intercalation-Induced Symmetry Breaking in Two-Dimensional Multiferroics with Strong Magnetoelectric Coupling.

The journal of physical chemistry letters·2026
Same author

Interface engineering in a Cu-CoO heterostructure for high-efficiency electrocatalytic nitrate reduction to ammonia.

Chemical communications (Cambridge, England)·2026
Same journal

Lower bound of the capacitance of constant phase elements based on electrochemical impedance spectra.

Physical chemistry chemical physics : PCCP·2026
Same journal

Stability constants of lanthanide-nitrate complexes in aqueous solutions: a theoretical study.

Physical chemistry chemical physics : PCCP·2026
Same journal

Lead-free Cs<sub>3</sub>MnCl<sub>5</sub> and CsMnCl<sub>3</sub> crystals: rapid on-chip crystallization, phase transition and fluorescence sensing applications.

Physical chemistry chemical physics : PCCP·2026
Same journal

F-Interstitial passivation preserves host-like optoelectronic properties in <sup>229</sup>Th:YLF nuclear-clock platforms.

Physical chemistry chemical physics : PCCP·2026
Same journal

Structural trends of tryptophan dimer: hydrogen bonding <i>versus</i> π-stacking from an energy decomposition analysis perspective.

Physical chemistry chemical physics : PCCP·2026
Same journal

Achieving high thermoelectric performance in Sb<sub>2</sub>Se<sub>3</sub>-alloyed GeTe through synergistic optimization of electrical and thermal transport.

Physical chemistry chemical physics : PCCP·2026
See all related articles

Related Experiment Video

Updated: May 23, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

High-throughput screening of two-dimensional multifunctional Janus M2X2via machine learning force fields.

Haidi Wang1, Haonan Song1, Weiduo Zhu1

  • 1School of Physics, Hefei University of Technology, Hefei, 230009, Anhui, China. chenzhao@hfut.edu.cn.

Physical Chemistry Chemical Physics : PCCP
|May 22, 2026
PubMed
Summary
This summary is machine-generated.

Researchers screened 15,428 Janus M2X2 monolayers using machine learning, identifying 7 stable candidates. Al2TeSe shows promise for piezoelectricity, ferroelectricity, and photocatalysis.

More Related Videos

Identification of Kinase-substrate Pairs Using High Throughput Screening
11:13

Identification of Kinase-substrate Pairs Using High Throughput Screening

Published on: August 29, 2015

Related Experiment Videos

Last Updated: May 23, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

Identification of Kinase-substrate Pairs Using High Throughput Screening
11:13

Identification of Kinase-substrate Pairs Using High Throughput Screening

Published on: August 29, 2015

Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Chemistry

Background:

  • Two-dimensional (2D) Janus materials offer unique properties due to broken mirror symmetry.
  • The vast compositional space of Janus materials hinders systematic discovery.

Purpose of the Study:

  • To conduct a high-throughput, data-driven screening of Janus M2X2 monolayers.
  • To identify novel 2D materials with desirable optoelectronic and electromechanical characteristics.

Main Methods:

  • Designed and computationally screened 15,428 Janus M2X2 candidates.
  • Employed a transfer-learning machine learning force field for structural stability prescreening.
  • Utilized stepwise thermodynamic, dynamical, and mechanical filtering for stability assessment.

Main Results:

  • Identified 7 stable Janus M2X2 monolayers meeting stability criteria.
  • 6 of these exhibit semiconducting behavior with band gaps between 1.78 and 3.49 eV.
  • Al2TeSe demonstrates significant in-plane piezoelectricity (d11 = 8.95 pm V-1), low-barrier ferroelectricity, and strong nonlinear optical response.

Conclusions:

  • The study presents a systematic computational approach for exploring the chemical space of 2D materials.
  • Janus M2X2 monolayers are identified as promising candidates for multifunctional electronic and optoelectronic applications.
  • Al2TeSe shows potential for photocatalysis due to intrinsic dipole-induced charge separation and suitable band alignment.