The CrBr

Ion batteries always use the charge properties of electron to estimate the state-of-charge. In this work, we predict that CrBr3 monolayers can be used as anode materials for sodium ion batteries to characterize state-of-charge of corresponding ion batteries by magnetism. According to the first-princ...
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Gespeichert in:

Autor*in:	Ma, Pengju [verfasserIn] Shu, Jiaohong [verfasserIn] Zhao, Xinxin [verfasserIn] Cao, Yunjiu [verfasserIn] Wang, Lili [verfasserIn] Chen, Guanglong [verfasserIn] Wu, Jianbao [verfasserIn] Mi, Yiming [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2023

Schlagwörter:	Sodium ion battery Anode material CrBr Ferromagnetism State-of-charge

Übergeordnetes Werk:	Enthalten in: Applied surface science - Amsterdam : Elsevier, 1985, 623
Übergeordnetes Werk:	volume:623

DOI / URN:	10.1016/j.apsusc.2023.157074

Katalog-ID:	ELV009624651

Internformat


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520			\|a Ion batteries always use the charge properties of electron to estimate the state-of-charge. In this work, we predict that CrBr3 monolayers can be used as anode materials for sodium ion batteries to characterize state-of-charge of corresponding ion batteries by magnetism. According to the first-principles calculations based on density functional theory, the available maximum Na storage capacity of CrBr3 monolayer can reach 795 mAh/g with the ultra-low open circuit voltage (∼0.02 V). Na ions have good diffusion properties in the CrBr3 monolayer, and the corresponding diffusion barrier is about to be 0.22 eV. There is a magnetic configuration transition in CrBr3 monolayer during charge/discharge, which arises from the change in the occupation of Cr-d orbitals. Our results shed a light to subsequently design and search for anode materials, suggesting that the magnetic properties of electrode materials could provide a new path to monitor the state-of-charge of ion battery.
650		4	\|a Sodium ion battery
650		4	\|a Anode material
650		4	\|a CrBr
650		4	\|a Ferromagnetism
650		4	\|a State-of-charge
700	1		\|a Shu, Jiaohong \|e verfasserin \|4 aut
700	1		\|a Zhao, Xinxin \|e verfasserin \|0 (orcid)0000-0001-8610-2494 \|4 aut
700	1		\|a Cao, Yunjiu \|e verfasserin \|4 aut
700	1		\|a Wang, Lili \|e verfasserin \|0 (orcid)0000-0002-1548-0110 \|4 aut
700	1		\|a Chen, Guanglong \|e verfasserin \|4 aut
700	1		\|a Wu, Jianbao \|e verfasserin \|4 aut
700	1		\|a Mi, Yiming \|e verfasserin \|4 aut
773	0	8	\|i Enthalten in \|t Applied surface science \|d Amsterdam : Elsevier, 1985 \|g 623 \|h Online-Ressource \|w (DE-627)312151128 \|w (DE-600)2002520-8 \|w (DE-576)094476985 \|7 nnns
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936	b	k	\|a 33.68 \|j Oberflächen \|j Dünne Schichten \|j Grenzflächen \|x Physik \|q VZ
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936	b	k	\|a 52.78 \|j Oberflächentechnik \|j Wärmebehandlung \|q VZ
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publishDate	2023
allfields	10.1016/j.apsusc.2023.157074 doi (DE-627)ELV009624651 (ELSEVIER)S0169-4332(23)00751-1 DE-627 ger DE-627 rda eng 670 530 660 VZ 33.68 bkl 35.18 bkl 52.78 bkl Ma, Pengju verfasserin (orcid)0000-0002-7441-3049 aut The CrBr 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Ion batteries always use the charge properties of electron to estimate the state-of-charge. In this work, we predict that CrBr3 monolayers can be used as anode materials for sodium ion batteries to characterize state-of-charge of corresponding ion batteries by magnetism. According to the first-principles calculations based on density functional theory, the available maximum Na storage capacity of CrBr3 monolayer can reach 795 mAh/g with the ultra-low open circuit voltage (∼0.02 V). Na ions have good diffusion properties in the CrBr3 monolayer, and the corresponding diffusion barrier is about to be 0.22 eV. There is a magnetic configuration transition in CrBr3 monolayer during charge/discharge, which arises from the change in the occupation of Cr-d orbitals. Our results shed a light to subsequently design and search for anode materials, suggesting that the magnetic properties of electrode materials could provide a new path to monitor the state-of-charge of ion battery. Sodium ion battery Anode material CrBr Ferromagnetism State-of-charge Shu, Jiaohong verfasserin aut Zhao, Xinxin verfasserin (orcid)0000-0001-8610-2494 aut Cao, Yunjiu verfasserin aut Wang, Lili verfasserin (orcid)0000-0002-1548-0110 aut Chen, Guanglong verfasserin aut Wu, Jianbao verfasserin aut Mi, Yiming verfasserin aut Enthalten in Applied surface science Amsterdam : Elsevier, 1985 623 Online-Ressource (DE-627)312151128 (DE-600)2002520-8 (DE-576)094476985 nnns volume:623 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 33.68 Oberflächen Dünne Schichten Grenzflächen Physik VZ 35.18 Kolloidchemie Grenzflächenchemie VZ 52.78 Oberflächentechnik Wärmebehandlung VZ AR 623
spelling	10.1016/j.apsusc.2023.157074 doi (DE-627)ELV009624651 (ELSEVIER)S0169-4332(23)00751-1 DE-627 ger DE-627 rda eng 670 530 660 VZ 33.68 bkl 35.18 bkl 52.78 bkl Ma, Pengju verfasserin (orcid)0000-0002-7441-3049 aut The CrBr 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Ion batteries always use the charge properties of electron to estimate the state-of-charge. In this work, we predict that CrBr3 monolayers can be used as anode materials for sodium ion batteries to characterize state-of-charge of corresponding ion batteries by magnetism. According to the first-principles calculations based on density functional theory, the available maximum Na storage capacity of CrBr3 monolayer can reach 795 mAh/g with the ultra-low open circuit voltage (∼0.02 V). Na ions have good diffusion properties in the CrBr3 monolayer, and the corresponding diffusion barrier is about to be 0.22 eV. There is a magnetic configuration transition in CrBr3 monolayer during charge/discharge, which arises from the change in the occupation of Cr-d orbitals. Our results shed a light to subsequently design and search for anode materials, suggesting that the magnetic properties of electrode materials could provide a new path to monitor the state-of-charge of ion battery. Sodium ion battery Anode material CrBr Ferromagnetism State-of-charge Shu, Jiaohong verfasserin aut Zhao, Xinxin verfasserin (orcid)0000-0001-8610-2494 aut Cao, Yunjiu verfasserin aut Wang, Lili verfasserin (orcid)0000-0002-1548-0110 aut Chen, Guanglong verfasserin aut Wu, Jianbao verfasserin aut Mi, Yiming verfasserin aut Enthalten in Applied surface science Amsterdam : Elsevier, 1985 623 Online-Ressource (DE-627)312151128 (DE-600)2002520-8 (DE-576)094476985 nnns volume:623 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 33.68 Oberflächen Dünne Schichten Grenzflächen Physik VZ 35.18 Kolloidchemie Grenzflächenchemie VZ 52.78 Oberflächentechnik Wärmebehandlung VZ AR 623
allfields_unstemmed	10.1016/j.apsusc.2023.157074 doi (DE-627)ELV009624651 (ELSEVIER)S0169-4332(23)00751-1 DE-627 ger DE-627 rda eng 670 530 660 VZ 33.68 bkl 35.18 bkl 52.78 bkl Ma, Pengju verfasserin (orcid)0000-0002-7441-3049 aut The CrBr 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Ion batteries always use the charge properties of electron to estimate the state-of-charge. In this work, we predict that CrBr3 monolayers can be used as anode materials for sodium ion batteries to characterize state-of-charge of corresponding ion batteries by magnetism. According to the first-principles calculations based on density functional theory, the available maximum Na storage capacity of CrBr3 monolayer can reach 795 mAh/g with the ultra-low open circuit voltage (∼0.02 V). Na ions have good diffusion properties in the CrBr3 monolayer, and the corresponding diffusion barrier is about to be 0.22 eV. There is a magnetic configuration transition in CrBr3 monolayer during charge/discharge, which arises from the change in the occupation of Cr-d orbitals. Our results shed a light to subsequently design and search for anode materials, suggesting that the magnetic properties of electrode materials could provide a new path to monitor the state-of-charge of ion battery. Sodium ion battery Anode material CrBr Ferromagnetism State-of-charge Shu, Jiaohong verfasserin aut Zhao, Xinxin verfasserin (orcid)0000-0001-8610-2494 aut Cao, Yunjiu verfasserin aut Wang, Lili verfasserin (orcid)0000-0002-1548-0110 aut Chen, Guanglong verfasserin aut Wu, Jianbao verfasserin aut Mi, Yiming verfasserin aut Enthalten in Applied surface science Amsterdam : Elsevier, 1985 623 Online-Ressource (DE-627)312151128 (DE-600)2002520-8 (DE-576)094476985 nnns volume:623 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 33.68 Oberflächen Dünne Schichten Grenzflächen Physik VZ 35.18 Kolloidchemie Grenzflächenchemie VZ 52.78 Oberflächentechnik Wärmebehandlung VZ AR 623
allfieldsGer	10.1016/j.apsusc.2023.157074 doi (DE-627)ELV009624651 (ELSEVIER)S0169-4332(23)00751-1 DE-627 ger DE-627 rda eng 670 530 660 VZ 33.68 bkl 35.18 bkl 52.78 bkl Ma, Pengju verfasserin (orcid)0000-0002-7441-3049 aut The CrBr 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Ion batteries always use the charge properties of electron to estimate the state-of-charge. In this work, we predict that CrBr3 monolayers can be used as anode materials for sodium ion batteries to characterize state-of-charge of corresponding ion batteries by magnetism. According to the first-principles calculations based on density functional theory, the available maximum Na storage capacity of CrBr3 monolayer can reach 795 mAh/g with the ultra-low open circuit voltage (∼0.02 V). Na ions have good diffusion properties in the CrBr3 monolayer, and the corresponding diffusion barrier is about to be 0.22 eV. There is a magnetic configuration transition in CrBr3 monolayer during charge/discharge, which arises from the change in the occupation of Cr-d orbitals. Our results shed a light to subsequently design and search for anode materials, suggesting that the magnetic properties of electrode materials could provide a new path to monitor the state-of-charge of ion battery. Sodium ion battery Anode material CrBr Ferromagnetism State-of-charge Shu, Jiaohong verfasserin aut Zhao, Xinxin verfasserin (orcid)0000-0001-8610-2494 aut Cao, Yunjiu verfasserin aut Wang, Lili verfasserin (orcid)0000-0002-1548-0110 aut Chen, Guanglong verfasserin aut Wu, Jianbao verfasserin aut Mi, Yiming verfasserin aut Enthalten in Applied surface science Amsterdam : Elsevier, 1985 623 Online-Ressource (DE-627)312151128 (DE-600)2002520-8 (DE-576)094476985 nnns volume:623 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 33.68 Oberflächen Dünne Schichten Grenzflächen Physik VZ 35.18 Kolloidchemie Grenzflächenchemie VZ 52.78 Oberflächentechnik Wärmebehandlung VZ AR 623
allfieldsSound	10.1016/j.apsusc.2023.157074 doi (DE-627)ELV009624651 (ELSEVIER)S0169-4332(23)00751-1 DE-627 ger DE-627 rda eng 670 530 660 VZ 33.68 bkl 35.18 bkl 52.78 bkl Ma, Pengju verfasserin (orcid)0000-0002-7441-3049 aut The CrBr 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Ion batteries always use the charge properties of electron to estimate the state-of-charge. In this work, we predict that CrBr3 monolayers can be used as anode materials for sodium ion batteries to characterize state-of-charge of corresponding ion batteries by magnetism. According to the first-principles calculations based on density functional theory, the available maximum Na storage capacity of CrBr3 monolayer can reach 795 mAh/g with the ultra-low open circuit voltage (∼0.02 V). Na ions have good diffusion properties in the CrBr3 monolayer, and the corresponding diffusion barrier is about to be 0.22 eV. There is a magnetic configuration transition in CrBr3 monolayer during charge/discharge, which arises from the change in the occupation of Cr-d orbitals. Our results shed a light to subsequently design and search for anode materials, suggesting that the magnetic properties of electrode materials could provide a new path to monitor the state-of-charge of ion battery. Sodium ion battery Anode material CrBr Ferromagnetism State-of-charge Shu, Jiaohong verfasserin aut Zhao, Xinxin verfasserin (orcid)0000-0001-8610-2494 aut Cao, Yunjiu verfasserin aut Wang, Lili verfasserin (orcid)0000-0002-1548-0110 aut Chen, Guanglong verfasserin aut Wu, Jianbao verfasserin aut Mi, Yiming verfasserin aut Enthalten in Applied surface science Amsterdam : Elsevier, 1985 623 Online-Ressource (DE-627)312151128 (DE-600)2002520-8 (DE-576)094476985 nnns volume:623 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 33.68 Oberflächen Dünne Schichten Grenzflächen Physik VZ 35.18 Kolloidchemie Grenzflächenchemie VZ 52.78 Oberflächentechnik Wärmebehandlung VZ AR 623
language	English
source	Enthalten in Applied surface science 623 volume:623
sourceStr	Enthalten in Applied surface science 623 volume:623
format_phy_str_mv	Article
bklname	Oberflächen Dünne Schichten Grenzflächen Kolloidchemie Grenzflächenchemie Oberflächentechnik Wärmebehandlung
institution	findex.gbv.de
topic_facet	Sodium ion battery Anode material CrBr Ferromagnetism State-of-charge
dewey-raw	670
isfreeaccess_bool	false
container_title	Applied surface science
authorswithroles_txt_mv	Ma, Pengju @@aut@@ Shu, Jiaohong @@aut@@ Zhao, Xinxin @@aut@@ Cao, Yunjiu @@aut@@ Wang, Lili @@aut@@ Chen, Guanglong @@aut@@ Wu, Jianbao @@aut@@ Mi, Yiming @@aut@@
publishDateDaySort_date	2023-01-01T00:00:00Z
hierarchy_top_id	312151128
dewey-sort	3670
id	ELV009624651
language_de	englisch
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author	Ma, Pengju
spellingShingle	Ma, Pengju ddc 670 bkl 33.68 bkl 35.18 bkl 52.78 misc Sodium ion battery misc Anode material misc CrBr misc Ferromagnetism misc State-of-charge The CrBr
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topic_title	670 530 660 VZ 33.68 bkl 35.18 bkl 52.78 bkl The CrBr Sodium ion battery Anode material CrBr Ferromagnetism State-of-charge
topic	ddc 670 bkl 33.68 bkl 35.18 bkl 52.78 misc Sodium ion battery misc Anode material misc CrBr misc Ferromagnetism misc State-of-charge
topic_unstemmed	ddc 670 bkl 33.68 bkl 35.18 bkl 52.78 misc Sodium ion battery misc Anode material misc CrBr misc Ferromagnetism misc State-of-charge
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title	The CrBr
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title_full	The CrBr
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title_auth	The CrBr
abstract	Ion batteries always use the charge properties of electron to estimate the state-of-charge. In this work, we predict that CrBr3 monolayers can be used as anode materials for sodium ion batteries to characterize state-of-charge of corresponding ion batteries by magnetism. According to the first-principles calculations based on density functional theory, the available maximum Na storage capacity of CrBr3 monolayer can reach 795 mAh/g with the ultra-low open circuit voltage (∼0.02 V). Na ions have good diffusion properties in the CrBr3 monolayer, and the corresponding diffusion barrier is about to be 0.22 eV. There is a magnetic configuration transition in CrBr3 monolayer during charge/discharge, which arises from the change in the occupation of Cr-d orbitals. Our results shed a light to subsequently design and search for anode materials, suggesting that the magnetic properties of electrode materials could provide a new path to monitor the state-of-charge of ion battery.
abstractGer	Ion batteries always use the charge properties of electron to estimate the state-of-charge. In this work, we predict that CrBr3 monolayers can be used as anode materials for sodium ion batteries to characterize state-of-charge of corresponding ion batteries by magnetism. According to the first-principles calculations based on density functional theory, the available maximum Na storage capacity of CrBr3 monolayer can reach 795 mAh/g with the ultra-low open circuit voltage (∼0.02 V). Na ions have good diffusion properties in the CrBr3 monolayer, and the corresponding diffusion barrier is about to be 0.22 eV. There is a magnetic configuration transition in CrBr3 monolayer during charge/discharge, which arises from the change in the occupation of Cr-d orbitals. Our results shed a light to subsequently design and search for anode materials, suggesting that the magnetic properties of electrode materials could provide a new path to monitor the state-of-charge of ion battery.
abstract_unstemmed	Ion batteries always use the charge properties of electron to estimate the state-of-charge. In this work, we predict that CrBr3 monolayers can be used as anode materials for sodium ion batteries to characterize state-of-charge of corresponding ion batteries by magnetism. According to the first-principles calculations based on density functional theory, the available maximum Na storage capacity of CrBr3 monolayer can reach 795 mAh/g with the ultra-low open circuit voltage (∼0.02 V). Na ions have good diffusion properties in the CrBr3 monolayer, and the corresponding diffusion barrier is about to be 0.22 eV. There is a magnetic configuration transition in CrBr3 monolayer during charge/discharge, which arises from the change in the occupation of Cr-d orbitals. Our results shed a light to subsequently design and search for anode materials, suggesting that the magnetic properties of electrode materials could provide a new path to monitor the state-of-charge of ion battery.
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title_short	The CrBr
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author2	Shu, Jiaohong Zhao, Xinxin Cao, Yunjiu Wang, Lili Chen, Guanglong Wu, Jianbao Mi, Yiming
author2Str	Shu, Jiaohong Zhao, Xinxin Cao, Yunjiu Wang, Lili Chen, Guanglong Wu, Jianbao Mi, Yiming
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doi_str	10.1016/j.apsusc.2023.157074
up_date	2024-07-06T23:48:00.872Z
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