Other — Polyethenetetrathiolate or polytetrathiooxalate? Improved synthesis, a comparative analysis of a prominent thermoelectric polymer and implications to the charge transport mechanism

9 measurement groups · 39 results

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

Atomic ratios from elemental analysis

Bulk elemental and compositional analysis

P1 poly[Kx(Ni-ett)] · Pellet

Atomic ratios Ni:K, K:Ni, S:C, Ni:C, Ni:S.

Geometry: powder/pellet
Context: pristine control
Measurement source: 4 · Results and discussion · Table 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
atomic_ratio_K:Ni	0.295	—	—	Table Exact Reported	4 · Results and discussion · Table 2
atomic_ratio_Ni:C	0.41	—	—	Table Exact Reported	4 · Results and discussion · Table 2
atomic_ratio_Ni:K	3.39	—	—	Table Exact Reported	4 · Results and discussion · Table 2
atomic_ratio_Ni:S	0.3	—	—	Table Exact Reported	4 · Results and discussion · Table 2
atomic_ratio_S:C	1.37	—	—	Table Exact Reported	4 · Results and discussion · Table 2

Atomic ratios from elemental analysis

Bulk elemental and compositional analysis

P3 poly[Ni-tto] · Pellet

Atomic ratios Ni:K, K:Ni, S:C, Ni:C, Ni:S.

Geometry: powder/pellet
Context: target pristine polymer
Measurement source: 4 · Results and discussion · Table 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
atomic_ratio_K:Ni	0.106	—	—	Table Exact Reported	4 · Results and discussion · Table 2
atomic_ratio_Ni:C	0.38	—	—	Table Exact Reported	4 · Results and discussion · Table 2
atomic_ratio_Ni:K	9.39	—	—	Table Exact Reported	4 · Results and discussion · Table 2
atomic_ratio_Ni:S	0.23	—	—	Table Exact Reported	4 · Results and discussion · Table 2
atomic_ratio_S:C	1.61	—	—	Table Exact Reported	4 · Results and discussion · Table 2

Elemental composition by ICP-OES and CHNS

Bulk elemental and compositional analysis

P1 poly[Kx(Ni-ett)] · Pellet

Weight percent composition; H attributed to coordinated water.

Geometry: powder/pellet
Context: pristine control
Measurement source: 4 · Results and discussion · Table 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
elemental_weight_percent_C	12.8	—	—	Table Exact Reported	4 · Results and discussion · Table 1
elemental_weight_percent_H	0.99	—	—	Table Exact Reported	4 · Results and discussion · Table 1
elemental_weight_percent_K	5.14	—	—	Table Exact Reported	4 · Results and discussion · Table 1
elemental_weight_percent_Ni	25.66	—	—	Table Exact Reported	4 · Results and discussion · Table 1
elemental_weight_percent_S	46.8	—	—	Table Exact Reported	4 · Results and discussion · Table 1

Elemental composition by ICP-OES and CHNS

Bulk elemental and compositional analysis

P3 poly[Ni-tto] · Pellet

Weight percent composition; H attributed to coordinated water.

Geometry: powder/pellet
Context: target pristine polymer
Measurement source: 4 · Results and discussion · Table 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
elemental_weight_percent_C	13.67	—	—	Table Exact Reported	4 · Results and discussion · Table 1
elemental_weight_percent_H	0.82	—	—	Table Exact Reported	4 · Results and discussion · Table 1
elemental_weight_percent_K	1.78	—	—	Table Exact Reported	4 · Results and discussion · Table 1
elemental_weight_percent_Ni	25.08	—	—	Table Exact Reported	4 · Results and discussion · Table 1
elemental_weight_percent_S	58.8	—	—	Table Exact Reported	4 · Results and discussion · Table 1

Elemental composition by ICP-OES and CHNS

Bulk elemental and compositional analysis

P1methanol poly[Kx(Ni-ett)] · Pellet

SI weight percent composition.

Geometry: powder/pellet
Context: pristine control
Measurement source: 26 · Thermogravimetric and elemental analysis · Table SD1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
elemental_weight_percent_C	12.46	—	—	SI Table Exact Reported	26 · Thermogravimetric and elemental analysis · Table SD1
elemental_weight_percent_H	1.13	—	—	SI Table Exact Reported	26 · Thermogravimetric and elemental analysis · Table SD1
elemental_weight_percent_K	3.59	—	—	SI Table Exact Reported	26 · Thermogravimetric and elemental analysis · Table SD1
elemental_weight_percent_Ni	21.17	—	—	SI Table Exact Reported	26 · Thermogravimetric and elemental analysis · Table SD1
elemental_weight_percent_S	41.53	—	—	SI Table Exact Reported	26 · Thermogravimetric and elemental analysis · Table SD1

Elemental composition by ICP-OES and CHNS

Bulk elemental and compositional analysis

P2 strongly charged poly[Kx(Ni-ett)] · Pellet

SI weight percent composition.

Geometry: powder/pellet
Context: pristine control
Measurement source: 26 · Thermogravimetric and elemental analysis · Table SD1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
elemental_weight_percent_C	9.88	—	—	SI Table Exact Reported	26 · Thermogravimetric and elemental analysis · Table SD1
elemental_weight_percent_H	0.76	—	—	SI Table Exact Reported	26 · Thermogravimetric and elemental analysis · Table SD1
elemental_weight_percent_K	12.59	—	—	SI Table Exact Reported	26 · Thermogravimetric and elemental analysis · Table SD1
elemental_weight_percent_Ni	22.98	—	—	SI Table Exact Reported	26 · Thermogravimetric and elemental analysis · Table SD1
elemental_weight_percent_S	53.18	—	—	SI Table Exact Reported	26 · Thermogravimetric and elemental analysis · Table SD1

Elemental composition by ICP-OES and CHNS

Bulk elemental and compositional analysis

P2-ox post-polymerisation oxidised poly[Kx(Ni-ett)] · Pellet

SI weight percent composition.

Geometry: powder/pellet
Context: oxidised sample
Measurement source: 26 · Thermogravimetric and elemental analysis · Table SD1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
elemental_weight_percent_C	9.23	—	—	SI Table Exact Reported	26 · Thermogravimetric and elemental analysis · Table SD1
elemental_weight_percent_H	1.18	—	—	SI Table Exact Reported	26 · Thermogravimetric and elemental analysis · Table SD1
elemental_weight_percent_K	0.96	—	—	SI Table Exact Reported	26 · Thermogravimetric and elemental analysis · Table SD1
elemental_weight_percent_Ni	13.67	—	—	SI Table Exact Reported	26 · Thermogravimetric and elemental analysis · Table SD1
elemental_weight_percent_S	39.92	—	—	SI Table Exact Reported	26 · Thermogravimetric and elemental analysis · Table SD1

Thermogravimetric analysis

P1 poly[Kx(Ni-ett)] · Pellet

TGA weight percent versus temperature; SI reports selected mass retention points.

Temperature: 50-200 C holds
Geometry: powder/pellet
Context: pristine control
Measurement source: 26 · Thermogravimetric and elemental analysis · Fig. SD1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
initial_weight_loss_50_100C	2.5% weight loss for two isothermal holds at 50 C and 100 C	—	—	Text Rounded Reported	26 · Thermogravimetric and elemental analysis · Fig. SD1
mass_retention_after_200C_hold	92%	—	—	Text Rounded Reported	26 · Thermogravimetric and elemental analysis · Fig. SD1

Thermogravimetric analysis

P3 poly[Ni-tto] · Pellet

TGA weight percent versus temperature; SI reports selected mass retention points.

Temperature: 50-200 C holds
Geometry: powder/pellet
Context: target pristine polymer
Measurement source: 26 · Thermogravimetric and elemental analysis · Fig. SD1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
initial_weight_loss_50_100C	2.5% weight loss for two isothermal holds at 50 C and 100 C	—	—	Text Rounded Reported	26 · Thermogravimetric and elemental analysis · Fig. SD1
mass_retention_after_200C_hold	95%	—	—	Text Rounded Reported	26 · Thermogravimetric and elemental analysis · Fig. SD1