Journal of Synthetic Crystals, Volume. 53, Issue 3, 519(2024)
First-Principles Study on the Photoelectric Properties of N and As Doped Two-Dimensional GeC
[1] [1] NOVOSELOV K S, GEIM A K, MOROZOV S V, et al. Electric field effect in atomically thin carbon films[J]. Science, 2004, 306(5696): 666-669.
[2] [2] LIU C X, DAI Z H, HOU J E, et al. First-principles study for the electric field influence on electronic and optical properties of AlN/g-C3N4 heterostructure[J]. Journal of Applied Physics, 2023, 133(16): 164902.
[3] [3] TIEN T M, CHUNG Y J, HUANG C T, et al. Fabrication of WS2/WSe2 Z-scheme nano-heterostructure for efficient photocatalytic hydrogen production and removal of Congo red under visible light[J]. Catalysts, 2022, 12(8): 852.
[4] [4] HUONG P T, IDREES M, AMIN B, et al. Electronic structure, optoelectronic properties and enhanced photocatalytic response of GaN GeC van der Waals heterostructures: a first principles study[J]. RSC Advances, 2020, 10(40): 24127-24133.
[5] [5] ANTONIOTTI P, BENZI P L, DEMARIA C, et al. Optical spectroscopic characterization of amorphous germanium carbide materials obtained by X-Ray chemical vapor deposition[J]. AIMS Materials Science, 2015, 2(2): 106-121.
[6] [6] DIN H U, IDREES M, ALBAR A, et al. Rashba spin splitting and photocatalytic properties of GeC-MSSe (M=Mo, W) van der Waals heterostructures[J]. Physical Review B, 2019, 100(16): 165425.
[7] [7] JI Y J, DONG H L, HOU T J, et al. Monolayer graphitic germanium carbide (g-GeC): the promising cathode catalyst for fuel cell and lithium-oxygen battery applications[J]. Journal of Materials Chemistry A, 2018, 6(5): 2212-2218.
[8] [8] LIU C X, DAI Z H, HOU J, et al. Tunable electronic and optical properties of GeC/g-C3N4 vdWH by electric field and biaxial strain[J]. Journal of Physics and Chemistry of Solids, 2024, 185: 111782.
[9] [9] HASAN KHAN M S, ISLAM M R, HASAN M T. Strain-dependent electronic and optical properties of boron-phosphide and germanium-carbide hetero-bilayer: a first-principles study[J]. AIP Advances, 2020, 10(8): 085128.
[10] [10] LIU C X, PANG G W, PAN D Q, et al. First-principles study on electronic structure and optical properties of S and Al doped monolayer g-C3N4[J]. Materials Reports, 2023, 37(9): 14-19 (in Chinese).
[11] [11] ARELLANO L G, DE SANTIAGO F, MIRANDA , et al. Ab initio study of hydrogen storage on metal-decorated GeC monolayers[J]. International Journal of Hydrogen Energy, 2021, 46(57): 29261-29271.
[12] [12] GONG L, YAN X, ZHANG X A, et al. Electronic structures and optical properties of sulfur-passivated InAs nanowires by first-principles study[J]. Physica B: Condensed Matter, 2022, 625: 413541.
[13] [13] QIAN G L, XIE Q A, LIANG Q A, et al. Electronic properties and photocatalytic water splitting with high solar-to-hydrogen efficiency in a hBNC/Janus WSSe heterojunction: first-principles calculations[J]. Physical Review B, 2023, 107(15): 155306.
[14] [14] PANG G W, LIU C X, PAN D Q, et al. Theoretical study on Schottky interfacial charge and Schottky regulation of ZnO/graphene by doping of nonmetallic elements (F, S, Se, Te)[J]. Journal of Synthetic Crystals, 2022, 51(4): 628-636 (in Chinese).
[15] [15] KHOSSOSSI N, BANERJEE A, ESSAOUDI I, et al. Thermodynamics and kinetics of 2D g-GeC monolayer as an anode materials for Li/Na-ion batteries[J]. Journal of Power Sources, 2021, 485: 229318.
[16] [16] LIU C X, PAN D Q, PANG G W, et al. Theoretical study on photocatalytic activity of X/g-C3N4 (X=g-C3N4, AlN and GaN) heterojunction[J]. Journal of Synthetic Crystals, 2022, 51(3): 450-458 (in Chinese).
[17] [17] AN M Y, XIE Q, QIAN G L, et al. First-principles study on transition metal atom X(X=Mn, Fe, Co) doped monolayer Janus WSSe[J]. Chinese Journal of Inorganic Chemistry, 2023, 39(2): 272-280 (in Chinese).
[18] [18] XU Z, LI Y P, LI C X, et al. Tunable electronic and optical behaviors of two-dimensional germanium carbide[J]. Applied Surface Science, 2016, 367: 19-25.
[19] [19] PENG Q, LIANG C, JI W, et al. A first-principles study of the mechanical properties of g-GeC[J]. Mechanics of Materials, 2013, 64: 135-141.
[20] [20] QIAN G L, XIE Q, WANG Y X, et al. First-principles study of Sb and Ce doped Mg2Ge[J]. Journal of Atomic and Molecular Physics, 2022, 39(5): 147-153 (in Chinese).
[21] [21] MA L, LIU C X, PAN D Q, et al. First principles study on the electronic structure and optical properties of the selenium and cadmium doped GaN[J]. Electronic Components and Materials, 2022, 41(2): 149-156 (in Chinese).
[22] [22] LIU C X, PANG G W, PAN D Q, et al. First-principles study of influence of electric field on electronic structure and optical properties of GaN/g-C3N4 heterojunction[J]. Acta Physica Sinica, 2022, 71(9): 097301 (in Chinese).
[23] [23] ZHAO X C, WANG S X, LIU C X, et al. GGA + U method to study the effect of different concentration of Cr doping on the magnetic and optical properties of TiO2[J]. Journal of Atomic and Molecular Physics, 2022, 39(3): 158-166 (in Chinese).
[24] [24] FU S S, XIAO Q Q, YAO Y M, et al. First-principles study on the optoelectronic properties of rare-earth elements Lu and Sc doped GaN[J]. Journal of Atomic and Molecular Physics, 2024, 41(1): 167-173 (in Chinese).
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LI Ping, QIN Yanjun, PANG Guowang, TANG Yuzhu, ZHANG Yao, WANG Peng, LIU Chenxi. First-Principles Study on the Photoelectric Properties of N and As Doped Two-Dimensional GeC[J]. Journal of Synthetic Crystals, 2024, 53(3): 519
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Received: Oct. 8, 2023
Accepted: --
Published Online: Jul. 30, 2024
The Author Email: LIU Chenxi (liuchenxi4674@sina.com)
CSTR:32186.14.