2022
DOI: 10.1016/j.cej.2021.133923
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Phosphorus doping of 3D structural MoS2 to promote catalytic activity for lithium-sulfur batteries

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Cited by 42 publications
(35 citation statements)
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“…The monolayer of MoS 2 , which is purely made of a honeycomb sheet of molybdenum atoms that are covalently sandwiched between two honeycomb sheets of sulfur atoms, is known to have a hexagonal plane of sulfur atoms on either side of a hexagonal plane of Mo atoms. 29,30 Aer geometric optimization using the uB97XD/6-311++G(d,p) level of theory, the geometrically optimized lattice parameters for the monolayer surface and its dopant before adsorption were observed to have the following bond lengths. For the boron-doped surface (B@MoS 2 -QD) the B 36 -Mo 13 , B 36 -Mo 4 and B 36 -Mo 15 bond lengths were 2.185 A, 1.851 A and 2.185 A, respectively.…”
Section: Geometric Optimizationmentioning
confidence: 99%
“…The monolayer of MoS 2 , which is purely made of a honeycomb sheet of molybdenum atoms that are covalently sandwiched between two honeycomb sheets of sulfur atoms, is known to have a hexagonal plane of sulfur atoms on either side of a hexagonal plane of Mo atoms. 29,30 Aer geometric optimization using the uB97XD/6-311++G(d,p) level of theory, the geometrically optimized lattice parameters for the monolayer surface and its dopant before adsorption were observed to have the following bond lengths. For the boron-doped surface (B@MoS 2 -QD) the B 36 -Mo 13 , B 36 -Mo 4 and B 36 -Mo 15 bond lengths were 2.185 A, 1.851 A and 2.185 A, respectively.…”
Section: Geometric Optimizationmentioning
confidence: 99%
“…Doping MoS 2 with heteroatoms can also modify the MoS 2 properties by regulating the electronic structure and conductivity, regulating the interlaying spacing, and increasing the number of active sites [ 102 , 103 , 104 ]. This type of modification has been shown to be effective in photocatalytic hydrogen production and battery fields [ 102 , 103 , 104 ]. Doping with metallic elements may lead to undesirable consequences, such as the reduction in stability of MoS 2 by promoting the formation of the MoS 3 phase.…”
Section: Common Synthesis Methods and Modifications Of Mosmentioning
confidence: 99%
“…Doping with metallic elements may lead to undesirable consequences, such as the reduction in stability of MoS 2 by promoting the formation of the MoS 3 phase. In contrast, using non-metallic elements promotes an increased number of active sites and conductivity [ 103 ]. Xin et al [ 102 ] synthesized P-doped MoS 2 for photocatalytic hydrogen production.…”
Section: Common Synthesis Methods and Modifications Of Mosmentioning
confidence: 99%
“…The 3D structure is theoretically beneficial to expose more anchoring sites of LiPSs. Besides, the 3D structure provides sufficient deposition space for insoluble Li 2 S 2 and Li 2 S, avoiding the insulating nature to block the transmission path of lithium ions. For example, Luo et al designed 3D porous FeP/rGO microspheres supported on a commercial separator to provide strong adsorption toward LiPSs . Niu’s group introduced 3D hollow nanospheres (MoP@C/N) on the separator as an outstanding immobilizer to inhibit LiPSs diffusion .…”
Section: Introductionmentioning
confidence: 99%