Journal of Synthetic Crystals, Volume. 54, Issue 6, 1034(2025)
Controlling Hydrogen Evolution Reaction of Janus MoSSe by Defect and Strain Engineering
[1] GEIM A K, NOVOSELOV K S. The rise of graphene. Nature Materials, 6, 183-191(2007).
[2] CHEN H Q, TAO Y Q, LI X J et al. Theeffects of mechanical mixing and chemical vapor deposition doping graphene on the CuCr contact. Journal of Functional Materials, 54, 12148-12153+12162(2023).
[3] SI J S, YANG Z X, ZHANG W B. Research status of interlayer magnetism for bilayer transition metal trihalides. Progress in Physics, 42, 147-157(2022).
[4] GUO W H, XU H L, XU H L et al. Functionalized graphene-molybdenum disulfide-based electrochemical sensor for detection of nitrite. Chinese Journal of Analytical Chemistry, 52, 1766-1774(2024).
[5] ZHANG M, NIE G Z, ZHONG Z X. Adsorption performance of Cu(Ⅱ) on molybdenum disulfide nanosheets with wide interlayer spacing. Ion Exchange and Adsorption, 40, 469-480(2024).
[6] LEI S S, GONG Q R, ZHAO C C et al. Research progress of wide bandgap semiconductor ZnGa2O4. Journal of Synthetic Crystals, 53, 1289-1301(2024).
[7] SUN W, SUN H Z, ZHAO B et al. Theoretical study on Raman spectra of Janus MoSSe single-layer under bi-axial strain. Journal of Liaoning Petrochemical University, 44, 35-42(2024).
[8] ZHOU C Q, ZHANG H, LI K Y. First-principles study on photoelectric properties of Janus two-dimensional bilayer MoSSe/WSSe heterostructures. Journal of Synthetic Crystals, 52, 1668-1673(2023).
[9] ZHANG Y H, LI X B, ZHAN C X et al. Molecular dynamics simulation study on mechanical properties of Janus MoSSe monolayer. Acta Physica Sinica, 72(2023).
[10] SUN H Z, SUN W, ZHAO B et al. Theoretical study on double resonant Raman scattering in Janus MoSSe monolayer. Journal of Liaoning Petrochemical University, 42, 30-36(2022).
[11] ZHANG H Y, QIU Y F, FENG J C et al. First-principles of intrinsic properties of MoGe2N4 and Janus MoSiGeN4 monolayers. Journal of Science of Teachers’ College and University, 44, 58-64(2024).
[12] LIU M Y, FANG Y, FU Y H et al. Theoretical study on the electronic structure and electric polarization properties of a new Janus two-dimensional material VSiN3. Journal of Yunnan University (Natural Sciences Edition), 46, 1101-1110(2024).
[13] BLÖCHL P E. Projector augmented-wave method. Physical Review B, 50, 17953-17979(1994).
[14] WANG T, ZHANG Y H, YIN H R. Structural design and photocatalytic antimicrobial properties of NaTaO3 based on density functional theory. Journal of Synthetic Crystals, 53, 1051-1060(2024).
[15] BAO A D, MA Y Q, GUO X. First principles study on the structure and interface properties of GaSe/ZnS heterostructure. Journal of Synthetic Crystals, 53, 669-675(2024).
[16] GREST G S, NAGEL S R, RAHMAN A et al. Density of states and the velocity autocorrelation function derived from quench studies. The Journal of Chemical Physics, 74, 3532-3534(1981).
[17] KRESSE G, FURTHMÜLLER J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Computational Materials Science, 6, 15-50(1996).
[18] PERDEW J P, BURKE K, ERNZERHOF M. Generalized gradient approximation made simple. Physical Review Letters, 77, 3865-3868(1996).
[19] GRIMME S. Semiempirical GGA-type density functional constructed with a long-range dispersion correction. Journal of Computational Chemistry, 27, 1787-1799(2006).
[20] KRESSE G, JOUBERT D. From ultrasoft pseudopotentials to the projector augmented-wave method. Physical Review B, 59, 1758-1775(1999).
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Jingsong LIU, Lu SHEN, Longjun REN, Xizhong HUANG. Controlling Hydrogen Evolution Reaction of Janus MoSSe by Defect and Strain Engineering[J]. Journal of Synthetic Crystals, 2025, 54(6): 1034
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Received: Jan. 25, 2025
Accepted: --
Published Online: Jul. 8, 2025
The Author Email: Lu SHEN (wt14049@wjut.edu.cn)