Atomic-scale intercalation and defect engineering for enhanced magnetism and optoelectronic properties in atomically thin GeS

Iloanya, Anthony C.; Kastuar, Srihari M.; Jana, Gour; Ekuma, Chinedu E.

doi:10.1038/s41598-025-88290-z

Title: Atomic-scale intercalation and defect engineering for enhanced magnetism and optoelectronic properties in atomically thin GeS

Journal Article · 06 February 2025 · Scientific Reports

DOI: https://doi.org/10.1038/s41598-025-88290-z · OSTI ID:2511332

Iloanya, Anthony C.; Kastuar, Srihari M.; Jana, Gour; Ekuma, Chinedu E.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0024099

OSTI ID:: 2511332

Journal Information:: Scientific Reports, Journal Name: Scientific Reports Journal Issue: 1 Vol. 15; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

References (37)

Layered Intercalation Materials Zhou, Jingyuan; Lin, Zhaoyang; Ren, Huaying Advanced Materials, Vol. 33, Issue 25 https://doi.org/10.1002/adma.202004557	journal	May 2021
Intercalation of ferrocene and dimethylaminomethylferrocene into α-Sn(HPO4)2 · H2O and α-VOPO4 · 2H2O Rodríguez-Castellón, Enrique; Jiménez-Ĺópez, Antonio; Martínez-Lara, María Journal of Inclusion Phenomena, Vol. 5, Issue 3 https://doi.org/10.1007/BF00665366	journal	June 1987
wannier90: A tool for obtaining maximally-localised Wannier functions Mostofi, Arash A.; Yates, Jonathan R.; Lee, Young-Su Computer Physics Communications, Vol. 178, Issue 9 https://doi.org/10.1016/j.cpc.2007.11.016	journal	May 2008
ElasTool: An automated toolkit for elastic constants calculation Liu, Zhong-Li; Ekuma, C. E.; Li, Wei-Qi Computer Physics Communications, Vol. 270 https://doi.org/10.1016/j.cpc.2021.108180	journal	January 2022
Ferrocene Preintercalated Vanadium Oxides with Rich Oxygen Vacancies for Ultrahigh Rate and Durable Zn-Ion Storage Gong, Yangyang; Zhou, Yubing; Peng, Shuqin Electrochimica Acta, Vol. 439 https://doi.org/10.1016/j.electacta.2022.141693	journal	January 2023
Ab initio study of intrinsic point defects in germanium sulfide Mishra, Neeraj; Makov, Guy Journal of Alloys and Compounds, Vol. 914 https://doi.org/10.1016/j.jallcom.2022.165389	journal	September 2022
Dynamically reconfigurable electronic and phononic properties in intercalated HfS2 Najmaei, Sina; Ekuma, Chinedu E.; Wilson, Adam A. Materials Today, Vol. 39 https://doi.org/10.1016/j.mattod.2020.04.030	journal	October 2020
First-principles investigation of aluminum intercalation in bilayer blue phosphorene for Al-ion battery Hao, Junhua; Wang, Zhengjia; Kong, Weixin Surface Science, Vol. 728 https://doi.org/10.1016/j.susc.2022.122195	journal	February 2023
Electrochemical Techniques for Intercalation Electrode Materials in Rechargeable Batteries Zhu, Yujie; Gao, Tao; Fan, Xiulin Accounts of Chemical Research, Vol. 50, Issue 4 https://doi.org/10.1021/acs.accounts.7b00031	journal	February 2017
Charge Transfer in Metallocene Intercalated Transition Metal Dichalcogenides Kuo, Ding-Yuan; Rice, Peter S.; Raugei, Simone The Journal of Physical Chemistry C, Vol. 126, Issue 32 https://doi.org/10.1021/acs.jpcc.2c03927	journal	August 2022
Li Intercalation in MoS ₂ : In Situ Observation of Its Dynamics and Tuning Optical and Electrical Properties Xiong, Feng; Wang, Haotian; Liu, Xiaoge Nano Letters, Vol. 15, Issue 10 https://doi.org/10.1021/acs.nanolett.5b02619	journal	September 2015
Rational Passivation of Sulfur Vacancy Defects in Two-Dimensional Transition Metal Dichalcogenides Bretscher, Hope; Li, Zhaojun; Xiao, James ACS Nano, Vol. 15, Issue 5 https://doi.org/10.1021/acsnano.1c01220	journal	May 2021
Recent Advances in Two-Dimensional Materials beyond Graphene Bhimanapati, Ganesh R.; Lin, Zhong; Meunier, Vincent ACS Nano, Vol. 9, Issue 12 https://doi.org/10.1021/acsnano.5b05556	journal	October 2015
Graphene-Like Two-Dimensional Materials Xu, Mingsheng; Liang, Tao; Shi, Minmin Chemical Reviews, Vol. 113, Issue 5, p. 3766-3798 https://doi.org/10.1021/cr300263a	journal	January 2013
Evolution of Electronic Structure as a Function of Layer Thickness in Group-VIB Transition Metal Dichalcogenides: Emergence of Localization Prototypes Zhang, Lijun; Zunger, Alex Nano Letters, Vol. 15, Issue 2 https://doi.org/10.1021/nl503717p	journal	January 2015
Hopping transport through defect-induced localized states in molybdenum disulphide Qiu, Hao; Xu, Tao; Wang, Zilu Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms3642	journal	October 2013
Approaching the limits of transparency and conductivity in graphitic materials through lithium intercalation Bao, Wenzhong; Wan, Jiayu; Han, Xiaogang Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms5224	journal	July 2014
Towards intrinsic charge transport in monolayer molybdenum disulfide by defect and interface engineering Yu, Zhihao; Pan, Yiming; Shen, Yuting Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms6290	journal	October 2014
Exploring atomic defects in molybdenum disulphide monolayers Hong, Jinhua; Hu, Zhixin; Probert, Matt Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms7293	journal	February 2015
Two-dimensional material nanophotonics Xia, Fengnian; Wang, Han; Xiao, Di Nature Photonics, Vol. 8, Issue 12 https://doi.org/10.1038/nphoton.2014.271	journal	November 2014
Efficient prediction of temperature-dependent elastic and mechanical properties of 2D materials Kastuar, S. M.; Ekuma, C. E.; Liu, Z. -L. Scientific Reports, Vol. 12, Issue 1 https://doi.org/10.1038/s41598-022-07819-8	journal	March 2022
Intercalation as a versatile tool for fabrication, property tuning, and phase transitions in 2D materials Rajapakse, Manthila; Karki, Bhupendra; Abu, Usman O. npj 2D Materials and Applications, Vol. 5, Issue 1 https://doi.org/10.1038/s41699-021-00211-6	journal	March 2021
Intercalation of cobaltocene into WS ₂ nanosheets for enhanced catalytic hydrogen evolution reaction Kwak, In Hye; Abbas, Hafiz Ghulam; Kwon, Ik Seon Journal of Materials Chemistry A, Vol. 7, Issue 14 https://doi.org/10.1039/C9TA01238A	journal	January 2019
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu Grimme, Stefan; Antony, Jens; Ehrlich, Stephan The Journal of Chemical Physics, Vol. 132, Issue 15 https://doi.org/10.1063/1.3382344	journal	April 2010
Sulfur vacancies in monolayer MoS ₂ and its electrical contacts Liu, D.; Guo, Y.; Fang, L. Applied Physics Letters, Vol. 103, Issue 18 https://doi.org/10.1063/1.4824893	journal	October 2013
Tailoring electrophotonic capabilities of atomically thin GeS through controlled organometallic intercalation Iloanya, A. C.; Kastuar, S. M.; Ekuma, C. E. Journal of Applied Physics, Vol. 136, Issue 8 https://doi.org/10.1063/5.0226430	journal	August 2024
The energy spectrum of disordered systems Lifshitz, I. M. Advances in Physics, Vol. 13, Issue 52 https://doi.org/10.1080/00018736400101061	journal	October 1964
First-Principles Study of Intrinsic Point Defects of Monolayer GeS Qiu, Chen; Cao, Ruyue; Zhang, Cai-Xin Chinese Physics Letters, Vol. 38, Issue 2 https://doi.org/10.1088/0256-307X/38/2/026103	journal	February 2021
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Quasiparticle band structures and interface physics of SnS and GeS Malone, Brad D.; Kaxiras, Efthimios Physical Review B, Vol. 87, Issue 24 https://doi.org/10.1103/PhysRevB.87.245312	journal	June 2013
Typical medium dynamical cluster approximation for the study of Anderson localization in three dimensions Ekuma, C. E.; Terletska, H.; Tam, K. -M. Physical Review B, Vol. 89, Issue 8 https://doi.org/10.1103/PhysRevB.89.081107	journal	February 2014
Optical absorption in disordered monolayer molybdenum disulfide Ekuma, C. E.; Gunlycke, D. Physical Review B, Vol. 97, Issue 20 https://doi.org/10.1103/PhysRevB.97.201414	journal	May 2018
First-Principles-Based Method for Electron Localization: Application to Monolayer Hexagonal Boron Nitride Ekuma, C. E.; Dobrosavljević, V.; Gunlycke, D. Physical Review Letters, Vol. 118, Issue 10 https://doi.org/10.1103/PhysRevLett.118.106404	journal	March 2017
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Chemically tuned intermediate band states in atomically thin Cu _x GeSe/SnS quantum material for photovoltaic applications Kastuar, Srihari M.; Ekuma, Chinedu E. Science Advances, Vol. 10, Issue 15 https://doi.org/10.1126/sciadv.adl6752	journal	April 2024
Effect of Point Defects on Electronic Structure of Monolayer GeS Choi, Hyeong-Kyu; Cha, Janghwan; Choi, Chang-Gyu Nanomaterials, Vol. 11, Issue 11 https://doi.org/10.3390/nano11112960	journal	November 2021

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