Spectroscopy — A novel Sn-based coordination polymer with high-efficiency and ultrafast lithium storage

4 measurement groups · 42 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

Ex-situ XRD, FT-IR, XPS and HRTEM at lithiation/delithiation states

Infrared spectroscopy X-ray photoelectron spectroscopy X-ray diffraction and scattering Transmission electron microscopy

Sn-DHTPA composite LIB electrode · Electrode

Charged/discharged CR2032 cells disassembled in argon glovebox; electrodes rinsed with DMC and dried before ex-situ measurements

Atmosphere: argon glovebox for disassembly; moisture and oxygen contents below 0.5 ppm
Geometry: ex-situ electrode samples
Context: cycled Sn-DHTPA composite electrodes
Measurement source: p003 / article p.158 · Experimental - Electrochemical measurements · Figures 4, 5, S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Sn nanoparticle lattice fringe assigned to (101)	0.279 nm	—	—	Text Exact Reported	p005-p006 / article pp.160-161 · Results and Discussion · Figures 4, 5, S5
Sn nanoparticle lattice fringe assigned to (200)	0.291 nm	—	—	Text Exact Reported	p006 / article p.161 · Results and Discussion · Figure S5
initial discharge peak for Li insertion/extraction in organic moiety	about 0.92 V	—	about	Text Approximate	p007 / article p.162 · Results and Discussion · Figure 3a
initial reduction peak assigned to Sn alloying	around 0.12 V	—	around	Text Approximate	p007 / article p.162 · Results and Discussion · Figure 3a
Sn0 3d3/2 binding energy after discharge to 0.5 V	485.48 eV	—	—	Text Exact Reported	p005-p006 / article pp.160-161 · Results and Discussion · Figures 4, 5, S5
Sn0 3d5/2 binding energy after discharge to 0.5 V	494.85 eV	—	—	Text Exact Reported	p005-p006 / article pp.160-161 · Results and Discussion · Figures 4, 5, S5
charged Sn-DHTPA ex-situ XRD peak	16.58 deg 2theta	—	—	Text Exact Reported	p005-p006 / article pp.160-161 · Results and Discussion · Figures 4, 5, S5
charged Sn-DHTPA ex-situ XRD peak	19.50 deg 2theta	—	—	Text Exact Reported	p005-p006 / article pp.160-161 · Results and Discussion · Figures 4, 5, S5
charged Sn-DHTPA ex-situ XRD peak	22.02 deg 2theta	—	—	Text Exact Reported	p005-p006 / article pp.160-161 · Results and Discussion · Figures 4, 5, S5
charged Sn-DHTPA ex-situ XRD peak	26.0 deg 2theta	—	—	Text Exact Reported	p005-p006 / article pp.160-161 · Results and Discussion · Figures 4, 5, S5
Li2O ex-situ XRD peak after discharge	33.6 deg 2theta	—	—	Text Exact Reported	p005-p006 / article pp.160-161 · Results and Discussion · Figures 4, 5, S5
pristine Sn-DHTPA ex-situ XRD peak	20.4 deg 2theta	—	—	Text Exact Reported	p005-p006 / article pp.160-161 · Results and Discussion · Figures 4, 5, S5
pristine Sn-DHTPA ex-situ XRD peak	23.5 deg 2theta	—	—	Text Exact Reported	p005-p006 / article pp.160-161 · Results and Discussion · Figures 4, 5, S5
pristine Sn-DHTPA ex-situ XRD peak	25.5 deg 2theta	—	—	Text Exact Reported	p005-p006 / article pp.160-161 · Results and Discussion · Figures 4, 5, S5
pristine Sn-DHTPA ex-situ XRD peak	27.2 deg 2theta	—	—	Text Exact Reported	p005-p006 / article pp.160-161 · Results and Discussion · Figures 4, 5, S5
ex-situ XRD Sn nanoparticle peaks	30.6 deg and 32.0 deg 2theta	—	—	Text Exact Reported	p004-p005 / article pp.159-160 · Results and Discussion · Figure 4b

FT-IR spectroscopy and thermogravimetric analysis

Infrared spectroscopy Thermogravimetric analysis

as-prepared Sn-DHTPA powder · Powder

FT-IR in KBr flake from 4000-400 cm^-1; TGA in air flow from room temperature to 800 C at 20 C min^-1

Atmosphere: air flow for TGA
Geometry: KBr flake for FT-IR
Context: pristine Sn-DHTPA powder
Measurement source: p002-p004 / article pp.157-159 · Material characterizations and Results · Figure 1c,d

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
benzene C=C stretching band	about 1501 cm^-1	—	—	Text Approximate	p004 / article p.159 · Results and Discussion · Figure 1c
benzene C-H stretching band	698 cm^-1	—	—	Text Exact Reported	p004 / article p.159 · Results and Discussion · Figure 1c
DHTPA aromatic C-O stretching band	1196 cm^-1	—	—	Text Exact Reported	p004 / article p.159 · Results and Discussion · Figure 1c
DHTPA C-OH stretching band	1288 cm^-1	—	—	Text Exact Reported	p004 / article p.159 · Results and Discussion · Figure 1c
COOH asymmetric stretching band	1648 cm^-1	—	—	Text Exact Reported	p004 / article p.159 · Results and Discussion · Figure 1c
COOH symmetric stretching band	1355 cm^-1	—	—	Text Exact Reported	p004 / article p.159 · Results and Discussion · Figure 1c
coordinated-water O-H vibration band	3461 cm^-1	—	—	Text Exact Reported	p004 / article p.159 · Results and Discussion · Figure 1c
DHTPA O-H stretching band	3082 cm^-1	—	—	Text Exact Reported	p004 / article p.159 · Results and Discussion · Figure 1c
1,4-substituted benzene out-of-plane vibration	755 cm^-1	—	—	Text Exact Reported	p004 / article p.159 · Results and Discussion · Figure 1c
framework decomposition temperature range	360-430 C	—	—	Text Range	p004 / article p.159 · Results and Discussion · Figure 1d
upper decomposition temperature for organic framework	430 C	—	—	Text Range	p004 / article p.159 · Results and Discussion · Figure 1d
final residual SnO2 mass	58.3%	—	—	Text Exact Reported	p004 / article p.159 · Results and Discussion · Figure 1d
initial TGA weight loss assigned to coordinated water	about 8.8% at around 310 C	—	about	Text Approximate	p004 / article p.159 · Results and Discussion · Figure 1d
temperature for initial coordinated-water loss	around 310 C	—	—	Text Approximate	p004 / article p.159 · Results and Discussion · Figure 1d

119Sn solid-state MAS NMR

Nuclear magnetic resonance

as-prepared Sn-DHTPA powder · Powder

Bruker Avance III 600 MHz; 4.5 us 90 degree pulse; 10 k scans; 12 k spin frequency; referenced to SnCl4 at -158 ppm

Context: pristine Sn-DHTPA powder
Measurement source: SI text · Supporting Information · Figure S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
119Sn MAS NMR shift assigned to divalent tin	-483.8 ppm	—	—	Text Exact Reported	p003 / article p.158 · Results and Discussion · Figure S2
119Sn MAS NMR shift assigned to tetravalent tin	607.3 ppm	—	—	Text Exact Reported	p003 / article p.158 · Results and Discussion · Figure S2

X-ray photoelectron spectroscopy

as-prepared Sn-DHTPA powder · Powder

Kratos Axis Ultra with monochromatic Al Kalpha radiation

Context: pristine Sn-DHTPA powder
Measurement source: p002-p003 / article pp.157-158 · Experimental and Results · Figure 1b; Figure S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C 1s C-C/C=C aromatic carbon binding energy	284.7 eV	—	—	Text Exact Reported	p003 / article p.158 · Results and Discussion · Figure S3b
C 1s O-C=O carboxyl binding energy	288.5 eV	—	—	Text Exact Reported	p003 / article p.158 · Results and Discussion · Figure S3b
C 1s C-O hydroxyl binding energy	286.2 eV	—	—	Text Exact Reported	p003 / article p.158 · Results and Discussion · Figure S3b
*C 1s pi-pi satellite binding energy**	around 289.8 eV	—	—	Text Approximate	p003 / article p.158 · Results and Discussion · Figure S3b
O 1s carboxyl oxygen bound to Sn binding energy	531.4 eV	—	—	Text Exact Reported	p003 / article p.158 · Results and Discussion · Figure S3c
O 1s hydroxyl oxygen binding energy	about 532.6 eV	—	—	Text Approximate	p003 / article p.158 · Results and Discussion · Figure S3c
Sn2+ 3d3/2 binding energy	486.3 eV	—	—	Text Exact Reported	p003 / article p.158 · Results and Discussion · Figure 1b
Sn2+ 3d5/2 binding energy	494.7 eV	—	—	Text Exact Reported	p003 / article p.158 · Results and Discussion · Figure 1b
Sn4+ 3d3/2 binding energy	486.9 eV	—	—	Text Exact Reported	p003 / article p.158 · Results and Discussion · Figure 1b
Sn4+ 3d5/2 binding energy	495.4 eV	—	—	Text Exact Reported	p003 / article p.158 · Results and Discussion · Figure 1b