PMID- 33382274
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20210115
IS  - 1948-7185 (Electronic)
IS  - 1948-7185 (Linking)
VI  - 12
IP  - 1
DP  - 2021 Jan 14
TI  - Fully Boron-Sheet-Based Field Effect Transistors from First-Principles: Inverse 
      Design of Semiconducting Boron Sheets.
PG  - 576-584
LID - 10.1021/acs.jpclett.0c03333 [doi]
AB  - High-performance two-dimensional (2D) field effect transistors (FETs) have a 
      broad application prospect in future electronic devices. The lack of an ideal 
      material system, however, hinders the breakthrough of 2D FETs. Recently, phase 
      engineering offers a promising solution, but it requires both semiconducting and 
      metallic phases of materials. Here we suggest borophenes as ideal systems for 2D 
      FETs by theoretically searching semiconducting phases. Using multiobjective 
      differential optimization algorithms implemented in the IM(2)ODE package and the 
      first-principles calculations, we have successfully identified 16 new 
      semiconducting borophenes. Among them, the B(12)-1 borophene is the most stable 
      semiconducting phase, whose total energy is lower than any other known 
      semiconducting borophenes. By considering not only the band alignments but also 
      the lattice matches between semiconducting and metallic borophenes, we then have 
      theoretically proposed several device models of fully boron-sheet-based 2D FETs. 
      Our work provides beneficial ideas and attempts for discovering novel 
      borophene-based 2D FETs.
FAU - Zhang, Yi-Lin
AU  - Zhang YL
AD  - Key Laboratory of Computational Physical Sciences (Ministry of Education), State 
      Key Laboratory of Surface Physics, and Department of Physics, Fudan University, 
      Shanghai 200433, P. R. China.
AD  - Collaborative Innovation Center of Advanced Microstructures, Nanjing 210093, P. 
      R. China.
FAU - Yang, Ji-Hui
AU  - Yang JH
AUID- ORCID: 0000-0003-0642-5344
AD  - Key Laboratory of Computational Physical Sciences (Ministry of Education), State 
      Key Laboratory of Surface Physics, and Department of Physics, Fudan University, 
      Shanghai 200433, P. R. China.
FAU - Xiang, Hongjun
AU  - Xiang H
AUID- ORCID: 0000-0002-9396-3214
AD  - Key Laboratory of Computational Physical Sciences (Ministry of Education), State 
      Key Laboratory of Surface Physics, and Department of Physics, Fudan University, 
      Shanghai 200433, P. R. China.
AD  - Collaborative Innovation Center of Advanced Microstructures, Nanjing 210093, P. 
      R. China.
FAU - Gong, Xin-Gao
AU  - Gong XG
AD  - Key Laboratory of Computational Physical Sciences (Ministry of Education), State 
      Key Laboratory of Surface Physics, and Department of Physics, Fudan University, 
      Shanghai 200433, P. R. China.
AD  - Collaborative Innovation Center of Advanced Microstructures, Nanjing 210093, P. 
      R. China.
LA  - eng
PT  - Journal Article
DEP - 20201231
PL  - United States
TA  - J Phys Chem Lett
JT  - The journal of physical chemistry letters
JID - 101526034
SB  - IM
EDAT- 2021/01/01 06:00
MHDA- 2021/01/01 06:01
CRDT- 2020/12/31 12:06
PHST- 2021/01/01 06:00 [pubmed]
PHST- 2021/01/01 06:01 [medline]
PHST- 2020/12/31 12:06 [entrez]
AID - 10.1021/acs.jpclett.0c03333 [doi]
PST - ppublish
SO  - J Phys Chem Lett. 2021 Jan 14;12(1):576-584. doi: 10.1021/acs.jpclett.0c03333. 
      Epub 2020 Dec 31.