Janus transition metal dichalcogenides

MXY (M = Mo, W; X ≠ Y = S, Se, Te), e.g. MoSSe, WSSe

Also called Janus WSSe, MXY monolayers

van der Waals crystal semiconductor

A sheet whose two faces are made of different elements – named after Janus, the two-faced Roman god. Because top and bottom no longer match, the layer carries a permanent electric field across its own thickness. That built-in field splits electron spins, makes the sheet piezoelectric in a direction ordinary TMDCs are not, and could help separate charges for solar fuels. Janus layers cannot be grown directly: they are made by rebuilding one face of an existing monolayer.

Crystal structure

  • Mo
  • Se
  • S
Cell
Hexagonal, a = 3.25 Å
Atoms per cell
3
Mo–S bond
2.42 Å
Mo–Se bond
2.53 Å
Height
3.23 Å between the outer atom centres
A 1H MoS2 layer with the top sulfur plane replaced by selenium. The Mo–Se bonds are longer than the Mo–S bonds, so the two chalcogen planes sit at different distances from the metal: mirror symmetry through the Mo plane is gone, and the layer carries a built-in dipole across it. DFT values for a relaxed MoSSe monolayer: a = 3.25 Å, Mo–S 2.42 Å and Mo–Se 2.53 Å, with the planes placed to give those bonds.

Key properties

  • Intrinsic out-of-plane dipole from the electronegativity difference between the two chalcogen faces; DFT predicts an electrostatic potential step of several hundred meV across the layer
  • Out-of-plane piezoelectricity, forbidden by symmetry in conventional 1H TMDCs, with a vertical piezoelectric response demonstrated in MoSSe
  • Rashba-type spin splitting predicted, largest for tellurium-containing members
  • Second-harmonic generation with an out-of-plane component reflecting the reduced symmetry
  • Optical gap of MoSSe ~1.7 eV, between the parent compounds

How it is made

  • Plasma stripping and replacement: remove the top sulfur layer of a CVD MoS2 monolayer with hydrogen plasma, then selenise
  • Controlled sulfurisation of MoSe2 at a temperature high enough to replace the top selenium but low enough to leave the bottom layer intact
  • Room-temperature atomic replacement using hydrogen plasma and chalcogen vapour together, which reduces thermal damage and alloying
  • Conversion of exfoliated flakes from high-quality bulk crystals – slower to scale, but starting from far fewer defects than CVD monolayers

Uses, and how close they are

  • Photocatalytic water splitting using the built-in field (proposed)lab
  • Out-of-plane piezoelectric sensors and nanogeneratorslab
  • Spintronics exploiting Rashba spin splittinglab
  • Heterostructures with engineered interlayer excitonslab

Readiness runs lab → prototype → pilot → deployed.

Open problems

  1. How complete is the conversion – what fraction of a ‘Janus’ flake is truly MXY, and how are alloyed regions and vacancies distributed?
  2. Can the built-in dipole be measured directly and quantitatively, rather than inferred from DFT?
  3. Can Janus layers reach the crystalline quality of exfoliated parent monolayers, and at wafer scale?
  4. Do predicted Rashba splittings survive substrate interactions and disorder in real samples?

Going deeper

Short notes for specialists. Choose a lens in the header and yours comes first.

For theoreticians · your lens

Reducing the symmetry to C3v activates out-of-plane piezoelectric coefficients (d31 and d33) and Rashba terms that vanish in D3h. Slab calculations need a dipole correction – the potential step across the layer makes an uncorrected periodic cell unphysical – and piezoelectric tensors should come from DFPT or Berry-phase methods with ionic relaxation. Simulated Raman and PL signatures that distinguish a true Janus layer from ordered or random S/Se alloys are directly useful to experimentalists.

For experimentalists · your lens

Characterisation is the hard part, because a random MoS2xSe2(1−x) alloy can show a similar PL energy. Combine Raman (for MoSSe, an A1 mode near 288 cm−1 and an E mode near 355 cm−1, distinct from alloy modes), angle-resolved XPS or cross-sectional HAADF-STEM to confirm that S and Se sit on opposite faces, and polarisation-resolved SHG for the symmetry change. Map entire flakes – conversion is rarely uniform, and edges and grain boundaries convert differently from interiors.

For engineers · your lens

Not yet manufacturable: conversion routes are slow, uniformity is poor, and plasma or thermal damage degrades quality. If room-temperature atomic replacement matures, the most plausible early uses are sensors and piezoelectric components rather than logic.

In the research tracks

Recent news

The newest items tagged Janus MoSSe, from the news feed updated 5 Oct 2026.

Preprintnot yet peer reviewed arXiv

Electric-field switchable interlayer magnetic order and anomalous valley Hall effect in Janus VSSe bilayers with different interfaces

Electric-field control of magnetic order and valley polarization holds great promise for spintronic and valleytronic applications. However, achieving such electrical modulation remains a fundamental challenge in two-dimensional (2D) van der Waals (vdW) magnets. Herein, via first-principles calculations, we verify that…

Preprintnot yet peer reviewed arXiv

Topological spin textures in 2D altermagnetic chromium chalcogenides: Interplay between magnetic frustration and Dzyaloshinskii-Moriya interaction

Altermagnetism has recently emerged as a distinct magnetic paradigm, yet the exploration of topological spin textures within two-dimensional (2D) altermagnets remains limited. Using first-principles calculations and atomistic spin simulations, we investigate monolayer Cr2X2 and Janus monolayer Cr2XY altermagnets (X…

All 30 items tagged Janus MoSSe in the news feed  ·  RSS feed for Janus MoSSe

Key references

  1. Janus monolayers of transition metal dichalcogenidesLu et al. · Nature Nanotechnology 12, 744 (2017)cited by 2,486doi:10.1038/nnano.2017.100
  2. Janus monolayer transition-metal dichalcogenidesZhang et al. · ACS Nano 11, 8192 (2017)cited by 1,668doi:10.1021/acsnano.7b03186
  3. Large in-plane and vertical piezoelectricity in Janus transition metal dichalchogenidesDong et al. · ACS Nano 11, 8242 (2017)cited by 954doi:10.1021/acsnano.7b03313
  4. Room temperature synthesis of 2D Janus crystals and their heterostructuresTrivedi et al. · Advanced Materials 32, 2006320 (2020)cited by 352doi:10.1002/adma.202006320