#  Two-dimensional (2D) materials 

 



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We study the structure and electronic and optical properties of low-dimensional, nano-scale systems; examples of such systems include carbon nanotubes, graphene nanoflakes and nanowires. Recent advances in this field include the production of single layers of metal-dichalcogenides (like MoS2, WSe2, etc.) which have semiconducting character, and their combination with graphene (a semi-metal) or hexagonal boron nitride (h-BN, an insulator) layers.



 

##  Recent Publications in 2D Materials 

 



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### 2022

Chaves A, Larson D, Kaxiras E, Antonelli A. [Out-of-plane thermoelectric performance for p-doped GeSe](/publications/out-plane-thermoelectric-performance-p-doped-gese). Physical Review B. 2022;105(20):205201. doi:10.1103/PhysRevB.105.205201



 

 

Chaves A, Larson D, Kaxiras E, Antonelli A. [Out-of-plane thermoelectric performance for p-doped GeSe](/publications/out-plane-thermoelectric-performance-p-doped-gese). Physical Review B. 2022;105(20):205201. doi:10.1103/PhysRevB.105.205201



 

 

 

 

 



### 2021

Chaves A, Larson D, Kaxiras E, Antonelli A. [Microscopic origin of the high thermoelectric figure of merit of n-doped SnSe](/publications/microscopic-origin-high-thermoelectric-figure-merit-n-doped-snse-0). Physical Review B. 2021;104(11):115204. doi:10.1103/PhysRevB.104.115204



 

 

Chaves A, Larson D, Kaxiras E, Antonelli A. [Microscopic origin of the high thermoelectric figure of merit of n-doped SnSe](/publications/microscopic-origin-high-thermoelectric-figure-merit-n-doped-snse-0). Physical Review B. 2021;104(11):115204. doi:10.1103/PhysRevB.104.115204



 

 

 

 

Zhang K, Guo Y, Larson D, Zhu Z, Fang S, Kaxiras E, Kong J, Huang S. [Spectroscopic Signatures of Interlayer Coupling in Janus MoSSe/MoS2 Heterostructures](/publications/spectroscopic-signatures-interlayer-coupling-janus-mossemos2). ACS nano. 2021;15(9):14394–14403. doi:10.1021/acsnano.1c03779



 

 

Zhang K, Guo Y, Larson D, Zhu Z, Fang S, Kaxiras E, Kong J, Huang S. [Spectroscopic Signatures of Interlayer Coupling in Janus MoSSe/MoS2 Heterostructures](/publications/spectroscopic-signatures-interlayer-coupling-janus-mossemos2). ACS nano. 2021;15(9):14394–14403. doi:10.1021/acsnano.1c03779



 

 

 

 

Pizzochero M, Tepliakov N, Mostofi A, Kaxiras E. [Electrically Induced Dirac Fermions in Graphene Nanoribbons](/publications/electrically-induced-dirac-fermions-graphene-nanoribbons). Nano Letters. 2021;21(21):9332–9338. doi:10.1021/acs.nanolett.1c03596



 

 

Pizzochero M, Tepliakov N, Mostofi A, Kaxiras E. [Electrically Induced Dirac Fermions in Graphene Nanoribbons](/publications/electrically-induced-dirac-fermions-graphene-nanoribbons). Nano Letters. 2021;21(21):9332–9338. doi:10.1021/acs.nanolett.1c03596



 

 

 

 

 



### 2020

Chaves A, Antonelli A, Larson D, Kaxiras E. [Boosting the efficiency of ab initio electron-phonon coupling calculations through dual interpolation](/publications/boosting-efficiency-ab-initio-electron-phonon-coupling-calculations). Physical Review B. 2020;102(12):125116. doi:10.1103/PhysRevB.102.125116



 

 

Chaves A, Antonelli A, Larson D, Kaxiras E. [Boosting the efficiency of ab initio electron-phonon coupling calculations through dual interpolation](/publications/boosting-efficiency-ab-initio-electron-phonon-coupling-calculations). Physical Review B. 2020;102(12):125116. doi:10.1103/PhysRevB.102.125116



 

 

 

 

 



 

 

 

 

 

 

##  Members working on this topic: 

 



  [### Albert Zhu

 ](/people/albert-zhu) [axzhu(at)g(dot)harvard(dot)edu](mailto:axzhu(at)g(dot)harvard(dot)edu)

 

      ![Albert Zhu](/sites/g/files/omnuum11321/files/styles/hwp_4_5__690x865/public/efthimios_kaxiras/files/albert-zhu-aps25.jpg?itok=yo6cOMyc) 

 

 

 

   [### Daniel T. Larson

 ](/people/daniel-t-larson) <dtlarson@g.harvard.edu>Research Scientist

 

 

 Daniel uses density functional theory and molecular dynamics simulations to support experimental studies of novel materials, particularly twisted moiré systems. Recent work has focused on first-principles studies of atomic and electronic properties of... 

 

 

      ![D Larson](/sites/g/files/omnuum11321/files/styles/hwp_4_5__690x865/public/efthimios_kaxiras/files/daniel.png?itok=Xcl84Cnk)