Modulating Electronic Structure of Monolayer Transition Metal Dichalcogenides by Substitutional Nb-Doping

Tang，Lei1; Xu，Runzhang1; Tan，Junyang1; Luo，Yuting1; Zou，Jingyun1; Zhang，Zongteng2; Zhang，Rongjie1; Zhao，Yue2; Lin，Junhao2; Zou，Xiaolong1; Liu，Bilu1; Cheng，Hui Ming1,3

2020

10.1002/adfm.202006941

ADVANCED FUNCTIONAL MATERIALS   影响因子和分区

1616-301X

1616-3028

Modulating electronic structure of monolayer transition metal dichalcogenides (TMDCs) is important for many applications, and doping is an effective way toward this goal, yet is challenging to control. Here, the in situ substitutional doping of niobium (Nb) into TMDCs with tunable concentrations during chemical vapor deposition is reported. Taking monolayer WS as an example, doping Nb into its lattice leads to bandgap changes in the range of 1.98–1.65 eV. Noteworthy, electrical transport measurements and density functional theory calculations show that the 4d electron orbitals of the Nb dopants contribute to the density of states of Nb-doped WS around the Fermi level, resulting in an n- to p-type conversion. Nb-doping also reduces the energy barrier of hydrogen absorption in WS, leading to an improved electrocatalytic hydrogen evolution performance. These results highlight the effectiveness of controlled doping in modulating the electronic structure of TMDCs and their use in electronic related applications.

2D materials bandgap doping electronic structure TMDCs

SCI ; EI

英语

NI论文

其他

National Natural Science Foundation of China[51722206][51920105002][51991340][51991343]

Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics

Chemistry, Multidisciplinary ; Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter

WOS:000583866700001

WILEY-V C H VERLAG GMBH

20204409411896

Chemical vapor deposition ; Monolayers ; Niobium compounds ; Electronic structure ; Electrocatalysis ; Density functional theory ; Tungsten compounds ; Niobium

Nonferrous Metals and Alloys excluding Alkali and Alkaline Earth Metals:549.3 ; Electrochemistry:801.4.1 ; Chemical Reactions:802.2 ; Probability Theory:922.1 ; Atomic and Molecular Physics:931.3 ; Quantum Theory; Quantum Mechanics:931.4

MATERIALS SCIENCE

2-s2.0-85093976905

Scopus

1.Shenzhen Geim Graphene Center,Tsinghua–Berkeley Shenzhen Institute & Tsinghua Shenzhen International Graduate School,Tsinghua University,Shenzhen,518055,China
2.Department of Physics,Southern University of Science and Technology,Shenzhen,518055,China
3.Shenyang National Laboratory for Materials Science,Institute of Metal Research,Chinese Academy of Sciences,Shenyang,110016,China

Tang，Lei,Xu，Runzhang,Tan，Junyang,et al. Modulating Electronic Structure of Monolayer Transition Metal Dichalcogenides by Substitutional Nb-Doping[J]. ADVANCED FUNCTIONAL MATERIALS,2020,31(5).

Tang，Lei.,Xu，Runzhang.,Tan，Junyang.,Luo，Yuting.,Zou，Jingyun.,...&Cheng，Hui Ming.(2020).Modulating Electronic Structure of Monolayer Transition Metal Dichalcogenides by Substitutional Nb-Doping.ADVANCED FUNCTIONAL MATERIALS,31(5).

Tang，Lei,et al."Modulating Electronic Structure of Monolayer Transition Metal Dichalcogenides by Substitutional Nb-Doping".ADVANCED FUNCTIONAL MATERIALS 31.5(2020).