Correlating the three-dimensional atomic defects and electronic properties of two-dimensional transition metal dichalcogenides

Nature Materials
Xuezeng TianJianwei Miao

Abstract

The electronic, optical and chemical properties of two-dimensional transition metal dichalcogenides strongly depend on their three-dimensional atomic structure and crystal defects. Using Re-doped MoS2 as a model system, here we present scanning atomic electron tomography as a method to determine three-dimensional atomic positions as well as positions of crystal defects such as dopants, vacancies and ripples with a precision down to 4 pm. We measure the three-dimensional bond distortion and local strain tensor induced by single dopants. By directly providing these experimental three-dimensional atomic coordinates to density functional theory, we obtain more accurate electronic band structures than derived from conventional density functional theory calculations that relies on relaxed three-dimensional atomic coordinates. We anticipate that scanning atomic electron tomography not only will be generally applicable to determine the three-dimensional atomic coordinates of two-dimensional materials, but also will enable ab initio calculations to better predict the physical, chemical and electronic properties of these materials.

References

Jan 15, 1990·Physical Review. B, Condensed Matter·A M RappeJ D Joannopoulos
Feb 24, 2006·Proceedings of the National Academy of Sciences of the United States of America·Albina Y BorisevichStephen J Pennycook
Mar 3, 2007·Nature·Jannik C MeyerS Roth
Sep 25, 2007·Nature Materials·A FasolinoM I Katsnelson
Oct 21, 2011·Nano Letters·Jacopo BrivioAndras Kis
Mar 23, 2012·Nature·M C ScottJianwei Miao
Apr 4, 2012·Nano Letters·Wei L WangEfthimios Kaxiras
Jul 14, 2012·Reports on Progress in Physics·Humberto TerronesMildred S Dresselhaus
Jul 17, 2012·Science·Jamie H WarnerAngus I Kirkland
Mar 8, 2013·ACS Nano·Sheneve Z ButlerJoshua E Goldberger
Apr 22, 2014·Nature Nanotechnology·Yung-Chang LinKazu Suenaga
Apr 22, 2015·Chemical Society Reviews·Damien VoiryManish Chhowalla
May 2, 2015·Science·Jianwei MiaoMargaret M Murnane
Jul 30, 2016·Science·K S NovoselovA H Castro Neto
Sep 21, 2016·Advanced Materials·Jian GaoNikhil Koratkar
Oct 7, 2016·Science·Jianwei MiaoSimon J L Billinge
Nov 7, 2017·Advanced Structural and Chemical Imaging·Alan PryorJianwei Miao
Jul 6, 2018·Chemical Society Reviews·Shanshan WangJamie H Warner
Aug 2, 2018·Nano Letters·Christopher J CiccarinoPrineha Narang

❮ Previous
Next ❯

Citations

Mar 11, 2020·Nature Materials·Angus I Kirkland
Oct 25, 2020·Nature Communications·Penghong CiJunqiao Wu
Dec 10, 2020·Nanoscale·Jennifer G DiStefanoVinayak P Dravid
Jan 14, 2021·Proceedings of the National Academy of Sciences of the United States of America·Yuan Hung LoJianwei Miao
Feb 19, 2021·ACS Nano·Derek S WangPrineha Narang
Dec 17, 2020·Chemical Reviews·Kade Head-MarsdenPrineha Narang
May 18, 2021·ACS Nano·Derek S WangPrineha Narang
Jul 30, 2021·Advanced Materials·Ye ZhangHan Zhang
Aug 21, 2021·Microscopy and Microanalysis : the Official Journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada·Jingyue Jimmy Liu
Sep 23, 2020·Chemical Reviews·Tomojit ChowdhuryThomas J Kempa
Oct 31, 2021·Nature Communications·Andreas LeithererLuca M Ghiringhelli

❮ Previous
Next ❯

Methods Mentioned

BETA
electron
scanning probe microscopy
scanning
atomic electron tomography

Software Mentioned

sAET
BM3D
GENFIRE
AET

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

Related Papers

Chemical Record : an Official Publication of the Chemical Society of Japan ... [et Al.]
Taketoshi Minato
Microscopy and Microanalysis : the Official Journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada
J P BubanN D Browning
© 2021 Meta ULC. All rights reserved