Effects of different surface functionalization on the electronic properties and contact types of graphene/functionalized-GeC van der Waals heterostructures
Literature Information
Tan Phat Dao, M. Idrees, Huynh V. Phuc, Nguyen N. Hieu, Nguyen T. T. Binh, Hoi B. Dinh, B. Amin, Chuong V. Nguyen
Constructing vertical heterostructures by placing graphene (Gr) on two-dimensional materials has recently emerged as an effective way to enhance the performance of nanoelectronic and optoelectronic devices. In this work, first principles calculations are employed to explore the structural and electronic properties of Gr/GeC and Gr/functionalized-GeC by H/F/Cl surface functionalization. Our results imply that the electronic properties of the Gr, GeC and all functionalized-GeC monolayers are well preserved in Gr/GeC and Gr/functionalized-GeC heterostructures, and the Gr/GeC heterostructure forms a p-type Schottky contact. Interestingly, we find that the p-type Schottky contact in Gr/GeC can be converted into the n-type one and into an n-type ohmic contact by H/F/Cl surface functionalization to form Gr/functionalized-GeC heterostructures. Furthermore, we find that electric fields and strain engineering can change both the Schottky barrier heights and the contact types of the Gr/functionalized-GeC vdWHs. These findings suggest that Gr/functionalized-GeC heterostructures can be considered as a promising candidate for designing high-performance optoelectronic and nanoelectronic devices.
Related Literature
A general and practical oxidation of alcohols to primary amides under metal-free conditions‡
Jian-Bo Feng, Helfried Neumann, Anahit Pews-Davtyan, Matthias Beller
DOI: 10.1039/C3GC40668G
Potential application of metallacarboranes as an internal reference: an electrochemical comparative study to ferrocene
Jewel Ann Maria Xavier, Clara Viñas, Francesc Teixidor
DOI: 10.1039/D2CC00424K
An alloy small molecule acceptor for green printing organic solar cells overcoming the scaling lag of efficiency
Ji Wan, Yao Wu, Rui Sun, Jiawei Qiao, Xiaotao Hao, Jie Min
DOI: 10.1039/D2EE03134E
A rotatable cathode with tunable steric hindrance for high-performance aluminum organic batteries
Mingshan Han, Qinqin Zhou, Meng Zhang, Jinshu Wang, Fangyan Cui, Yunfei Yang, Jingwen Su, Weiwei Huang, Yuxiang Hu
DOI: 10.1039/D3TA00343D
Electronic Ni–N interaction enhanced reductive amination on an N-doped porous carbon supported Ni catalyst
Wenjing Song, Yujie Wan, Yuefeng Li, Xin Luo, Weiping Fang, Quanxing Zheng, Pengfei Ma, Jianping Zhang, Weikun Lai
DOI: 10.1039/D2CY01551J
Correction: Crystal growth of two-dimensional organic–inorganic hybrid perovskites and their application in photovoltaics
Yuling Zhang, Ruyue Wang, Zhan’ao Tan
DOI: 10.1039/D3TA90117C
Formation mechanism of twinned β-form anhydrous guanine platelets in scallop eyes
Dongmei Guo, Yiqun Liu, Xiubin Hou, Xubo Wang, Chenge Fan, Lixia Bao, Xinpeng He, Hongmei Zhang, Yurong Ma
DOI: 10.1039/D3CE00485F
Synthesis of K[B3H7NH2BH2NH2B3H7] for a K-ion solid-state electrolyte
Xi-Meng Chen, Si-Han Jia, Jia-Xin Kang, Yichun Zhang, Yubin Ma, Yiming Ma, Xin Jiang, Xing-Chao Yu, Pengtao Qiu
DOI: 10.1039/D2CC00408A
You might also like
What are the main uses of 4-Nitrophenyl phosphate disodium salt hexahydrate (CAS: 333338-18-4)?
4-Nitrophenyl phosphate disodium salt hexahydrate is primarily used as a substra...
What are the main uses of 2-(Trifluoromethyl)-1,3-oxazole-4-carboxylic Acid (CAS: 1060816-01-4)?
2-(Trifluoromethyl)-1,3-oxazole-4-carboxylic Acid (CAS: 1060816-01-4) is widely ...
How should 2-Fluoro-4-biphenylcarboxylic acid (CAS: 137045-30-8) be stored?
2-Fluoro-4-biphenylcarboxylic acid should be stored in a cool, dry place at room...
What industries use Prednisolone-21-Carboxylic Acid (CAS: 61549-70-0)?
Prednisolone-21-Carboxylic Acid is primarily used in the pharmaceutical industry...
How should 4-(Hydrazinomethyl)-1,2,3-benzenetriol (CAS: 3614-72-0) be stored?
4-(Hydrazinomethyl)-1,2,3-benzenetriol (CAS: 3614-72-0) should be stored in a co...
What industries use 4-Amino-1-methyl-1H-pyrazole-5-carboxylic acid hydrochloride (CAS: 92534-70-8)?
4-Amino-1-methyl-1H-pyrazole-5-carboxylic acid hydrochloride (CAS: 92534-70-8) i...
What regulatory guidelines apply to dehydropachymic acid (CAS: 77012-31-8)?
Dehydropachymic acid (CAS: 77012-31-8) is regulated by various agencies. It fall...
What is the market or research trend for 6-[(2,2-Dimethylpropanoyl)amino]nicotinic acid (CAS: 898561-66-5)?
The market and research trends for 6-[(2,2-Dimethylpropanoyl)amino]nicotinic aci...
How should 1,10-Phenanthroline-2,9-dicarbaldehyde (CAS: 57709-62-3) be stored?
1,10-Phenanthroline-2,9-dicarbaldehyde should be stored in a cool, dry place awa...
How is 5-Carbamoyl-11-oxo-10,11-dihydro-5H-dibenzo[b,f]azepin-10-yl acetate (CAS: 113952-21-9) typically synthesized?
5-Carbamoyl-11-oxo-10,11-dihydro-5H-dibenzo[b,f]azepin-10-yl acetate can be synt...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














![1-[(4-Methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile structure 1-[(4-Methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile structure](https://static.chemtradehub.com/structs/143/1434747-57-5-fc0d.webp)