Review · secondary evidencePerspective

Proton transfer in hydrogen-bonded degenerate systems of water and ammonia in metal-organic frameworks

Dae-Woon Lim, Masaaki Sadakiyo and Hiroshi Kitagawa · Chemical Science · 2019

This dossier represents secondary evidence: section summaries, claims and benchmarks are paraphrased for this database, not quoted. Check quantitative values against the linked primary study, and cite the review itself (10.1039/c8sc04475a) for its arguments.

6review sections
6material families
14review claims
12secondary benchmarks
19cited studies
4research gaps

Review scope

To review degenerate hydrogen-bonded proton-conduction systems in MOFs, especially water-based hydronium/hydroxide media and emerging ammonia/ammonium media, with attention to design strategies, conduction mechanisms, stability and molecular dynamics.

Coverage
1979–2018
Category
Core Synthesis Structure
Material scope
proton-conductive metal-organic frameworks · porous coordination polymers · water-mediated MOF proton conductors · hydroxide-water MOF ion conductors · ammonia/ammonium-mediated MOF proton conductors
Transport scope
Grotthuss mechanism · vehicle mechanism · hydronium-water degenerate proton transfer · hydroxide-water proton back transfer · ammonium-ammonia and ammonium-water proton conduction · QENS, NMR and molecular dynamics interpretation
Application scope
solid-state proton conductors · fuel-cell electrolyte context · ammonia as energy carrier or conducting medium · stability constraints for practical MOF conductors
Explicit exclusions
primary extraction of experimental recipes · exhaustive listing of every proton-conductive MOF · non-MOF polymer electrolyte data except contextual benchmarks
Source
p. 16 · Abstract
Evidence role
Context, taxonomy and secondary benchmarking

Section map

The review’s argument is preserved as a navigable set of section summaries.

3.2. NH3 (NH4+) as a proton-conducting medium in MOFs

pp. 24-27

Organises ammonia-related conductivity into ammonium counterions, aqueous-NH3 inclusion and anhydrous NH3 protonation strategies.

Relevance: Core · p. 24 · 3.2

3.1. Stability of metal-organic frameworks against NH3

pp. 22-24

Explains why ammonia-mediated conduction requires chemically robust MOFs and summarises metal-node/linker factors controlling NH3 stability.

Relevance: Core · p. 23 · 3.1 · Table 1

3.3-4. Dynamic behavior, computation, conclusions and prospects

pp. 27-31

Reviews QENS, NMR and MD evidence for mobile protic species, then distils future design rules: hydrophilic channels, acidic sites, defects, robust metals and more computational mechanism studies.

Relevance: Core · p. 31 · 4. Conclusions and prospects

1. Introduction

pp. 16-18

Frames proton transport as acid-base transfer, motivates water and ammonia degenerate conjugate acid-base systems, and classifies intrinsic and extrinsic proton sources in MOFs.

Relevance: Core · p. 18 · 1. Introduction · Fig. 1

2.1. Additional protons with water molecules

pp. 18-21

Surveys H3O+-H2O systems in MOFs where water, acid groups and counterions create hydrogen-bond networks for Grotthuss-like proton transport.

Relevance: Core · p. 18 · 2.1

2.2. Hydroxide ions with water molecules

pp. 21-22

Defines the OH--H2O back-transfer mechanism and highlights alkaline-stable hosts that can accommodate hydroxide salts or counterions.

Relevance: Supporting · p. 21 · 2.2 · Figs. 9-12

Taxonomies

Classification systems are attributed to this review and are not treated as a global material registry.

How Ammonia-Derived Carriers Are IntroducedAuthor-proposed

NH3/NH4+ incorporation routes

The ammonia section separates charge-compensating ammonium frameworks, aqueous ammonia treatments and pure NH3 uptake by acid-functionalised stable MOFs.

Categories: NH4+ counterion during MOF synthesis · aqueous-NH3 vapour inclusion · anhydrous NH3 adsorption and protonation

p. 24 · 3.2

Microscopic Proton Transport Mode

Grotthuss versus vehicle mechanism

Water-mediated proton diffusion is interpreted through Grotthuss and vehicle mechanisms; ammonia-water cases can shift from hopping at low temperature to vehicular motion at higher temperature.

Categories: Grotthuss proton hopping with molecular rotation · vehicle diffusion of proton-attached species · mixed or temperature-dependent mechanism

p. 17 · 1. Introduction

Conjugate Acid-Base Pair Acting As Proton-Conducting MediumAuthor-proposed

Degenerate conducting media in MOFs

The review organises proton conduction around degenerate hydrogen-bonded acid-base systems of water and ammonia, with NH3 also forming mixed water/ammonium pathways.

Categories: H3O+-H2O · OH--H2O · NH4+-NH3 · NH4+-H2O or NH3-H2O mixed systems

p. 16 · Abstract · Scheme 1

Location And Mode Of Introducing Proton Carriers Into MOFsAuthor-proposed

Intrinsic and extrinsic proton sources

Intrinsic sources are incorporated during framework formation either in pores or on linkers; extrinsic sources are introduced into pores by inclusion of protic guests.

Categories: intrinsic pore counterions · intrinsic dangling acid functional groups · extrinsic protic guest molecules or nonvolatile acids

p. 18 · 1. Introduction · Fig. 1

Material families

Review-defined families retain their representative materials and conduction descriptions.

FJU-66 hydroxide-salt inclusion MOFs

3-D Framework With Connected Channels

Charge-neutral alkaline-stable FJU-66 frameworks loaded with hydroxide salts to create supramolecular OH-/water chains.

Conduction: Conductivity depends on the included hydroxide salt and can become very high when water pathways and hydroxide chains align.

Representative materials: FJU-66[EVIm]OH · FJU-66[NBu4]OH

Nodes / linkers: Cu · NDI tetracarboxydiimide

p. 22 · 2.2 · Fig. 12

Functionalised MIL-53 derivatives

1-D Channel MOF

MIL-53-type channels bearing acid, amino, hydroxy or unsubstituted BDC linkers that alter proton-donating ability and guest interactions.

Conduction: Functional groups regulate water or ammonia uptake, proton donation and channel hydrogen-bond networks.

Representative materials: MIL-53(Al)-(COOH)2 · MIL-53(Al)-NH2 · MIL-53(Al)-OH · MIL-53(Cr)

Nodes / linkers: Al · Fe · Cr · 1,4-benzenedicarboxylate · functionalised BDC

pp. 20, 27, 29 · 2.1, 3.2.3 and 3.4 · Figs. 7, 18, 22; Table 2

Cation-tuned oxalate-bridged MOFs

Layered Oxalate Framework

Oxalate frameworks in which hydrophilic organic cations tune water uptake and proton conduction.

Conduction: More hydrophilic cations adsorb more water and provide higher proton conductivity by strengthening pore H-bond networks.

Representative materials: {NR3(CH2COOH)}-[MaMb(ox)3].nH2O · Et-FeCr · Bu-FeCr

Nodes / linkers: Mn-Cr · Fe-Cr · Fe-Fe · oxalate · carboxylated ammonium cations

p. 20 · 2.1 · Figs. 5-6

Oxalate-bridged hydrated honeycomb MOFs with ammonium and acid guests

2-D Honeycomb Layers With Interlayer Proton-Conducting Guest Network

Layered oxalate frameworks containing water, ammonium and carboxylic acid groups that form ordered H-bond networks.

Conduction: Hydronium/water and ammonium-assisted hydrogen-bond networks support Grotthuss-type transport; dehydration and counterion substitution strongly reduce conductivity.

Representative materials: (NH4)2(H2adp)[Zn2(ox)3].3H2O · K2(H2adp)[Zn2(ox)3].3H2O

Nodes / linkers: Zn · oxalate · adipic acid

pp. 19, 24-25 · 2.1 and 3.2.1 · Figs. 2-4, 14

Acid-functionalised UiO-66 conductors

3-D Cages Connected By Windows

Zr-based UiO-66 derivatives bearing sulfonic or carboxylic acid groups that protonate confined water and stabilise conductive networks.

Conduction: Strong acid groups or hydrated cage networks lower proton-transfer barriers, but water positions/dynamics and cage connectivity govern long-range transport.

Representative materials: UiO-66-(SO3H)2 · UiO-66(Zr)-(CO2H)2

Nodes / linkers: Zr · terephthalate derivatives · sulfonic acid functional groups · carboxylic acid functional groups

pp. 21, 30-31 · 2.2 and 3.4 · Figs. 8, 23-24

Alkaline-stable ZIF and cationic hydroxide-host MOFs

3-D Porous Cages Or 1-D Channels

Frameworks that incorporate hydroxide anions with water to construct OH--H2O chains despite hydroxide corrosivity.

Conduction: Hydroxide-water systems conduct through proton back transfer along H-bonded OH-/H2O networks.

Representative materials: NBu4-ZIF-8-OH · [Ni2(m-pymca)3]OH.nH2O

Nodes / linkers: Zn · Ni · 2-methylimidazolate · pymca

pp. 21-22 · 2.2 · Figs. 10-11

Synthesis strategies

Review-level synthesis principles remain separate from primary-study recipes.

Install dangling acid groups on linkers

Add carboxylic, sulfonic or phosphonic acid sites that donate protons to confined water or ammonia and participate in pore H-bond networks.

Claimed effects: Raises carrier concentration and supports Grotthuss-like H3O+-H2O or NH4+-NH3 pathways.

Controlling variables: acid pKa · functional group density · pore hydrophilicity · guest water or ammonia loading

Representative materials: MIL-53 derivatives · UiO-66-(SO3H)2 · MIL-53(Al)-(COOH)2

Caveat: Strong acidity alone does not prove a pathway; guest positions, hydration state and structural integrity still matter.

p. 21 · 2.2 · Fig. 8

Protonate anhydrous NH3 at acid-functionalised pores

Adsorb pure NH3 into stable acid-functionalised MOFs so dangling acid groups convert part of NH3 to NH4+ and form NH4+/NH3 pathways.

Claimed effects: Demonstrates ammonia-mediated proton conduction without water when NH4+ species form in a continuous channel network.

Controlling variables: acid functional group pKa · NH3 pressure · pore geometry · NH3 uptake amount

Representative materials: MIL-53(Al)-(COOH)2

Caveat: Conductivity is still below the best humid systems and depends strongly on functional group acidity.

p. 27 · 3.2.3 · Table 2

Use aqueous-NH3 vapour to protonate conducting media

Expose hydrophilic MOFs to ammonia-water vapour so NH3, NH4+ and H2O cooperate within channels.

Claimed effects: Can enhance conductivity by protonating the conducting medium and adding NH4+ H-bonding.

Controlling variables: aqueous NH3 concentration · temperature · initial water content · crystallinity after treatment

Representative materials: Ca-PiPhtA-NH3 · Co imidazole-dicarboxylate MOFs

Caveat: The review notes cases where treated-sample structures or guest compositions were not convincingly determined.

p. 26 · 3.2.2 · Fig. 17

Tune hydrophilic channels and water uptake

Modify framework or cation hydrophilicity to increase water adsorption and produce continuous pore hydrogen-bond networks.

Claimed effects: Improves proton conductivity by completing the conducting medium network across pores.

Controlling variables: cation hydrophilicity · relative humidity · water content · channel continuity

Representative materials: Et-FeCr oxalate framework · Ca-PiPhtA · Co imidazole-dicarboxylate MOFs

Caveat: Conductivity may collapse upon dehydration or if treated samples lose crystallinity.

p. 20 · 2.1 · Fig. 6

Include hydroxide salts in alkaline-stable hosts

Introduce OH- as a salt or counterion into robust frameworks so that water-assisted proton back transfer carries hydroxide-ion conduction.

Claimed effects: Creates OH--H2O degenerate pathways that can give Grotthuss-like anion transport.

Controlling variables: host alkaline stability · hydroxide salt identity · water adsorption · pore aperture

Representative materials: NBu4-ZIF-8-OH · FJU-66[EVIm]OH

Caveat: Small apertures can impose high activation energy despite forming the intended system.

p. 21 · 2.2 · Fig. 10

Introduce protic counterions during MOF synthesis

Use charge-compensating H3O+, NH4+ or related ions in anionic frameworks so the pore guest is also a proton carrier.

Claimed effects: Can increase carrier concentration and create proton-transfer networks without post-synthetic loading.

Controlling variables: framework charge · counterion identity · guest-water arrangement · H-bonding ability

Representative materials: (NH4)2(H2adp)[Zn2(ox)3].3H2O · (NH4)4[MnCr2(ox)6].4H2O

Caveat: Counterion substitution can preserve structure but remove H-bonding function, so crystallographic similarity alone is insufficient.

p. 24 · 3.2.1

Select NH3-stable metal-linker combinations

Use inert and oxophilic metal nodes, strong metal-ligand bonds or protective linker chemistry before exposing MOFs to ammonia.

Claimed effects: Preserves porosity and crystallinity so ammonia can act as a conducting medium rather than decomposing the host.

Controlling variables: metal cation inertness · metal oxophilicity · ligand length · open metal sites · NH3 exposure temperature

Representative materials: MIL-53(Al) · MIL-101(Cr) · ZIF-8 · Ni2Cl2BBTA

Caveat: Some MOFs with high thermal stability still decompose at room temperature under NH3.

p. 24 · 3.1 · Table 1

Review claims

These are the review authors’ synthesis, not newly measured results.

DescriptiveHigh supportHistorical Development

The review presents acid-functionalised MIL-53(Al) under pure NH3 as the first report of anhydrous NH3-mediated proton-conductive MOFs with crystallographic analysis.

Evidence basis: single_reference

Caveat: The cited work is listed as a ChemRxiv DOI in the bibliography.

p. 27 · 3.2.3 · Fig. 18

Author InterpretationMedium supportTransport Mechanism

Aqueous-NH3 treatments can enhance proton conduction through combined protonation of the medium and NH4+ hydrogen-bonding.

Evidence basis: multi_reference

Caveat: Some treated materials lack convincing resolved structures, limiting mechanistic certainty.

p. 26 · 3.2.2

Author InterpretationHigh supportStructure Property Link

Hydration state can tune conductivity over many orders of magnitude by changing the dimensionality and completeness of pore hydrogen-bond networks.

Evidence basis: single_reference

Caveat: This is a clear example rather than a universal quantitative rule.

p. 19 · 2.1 · Figs. 3-4

Author InterpretationHigh supportStructure Property Link

Within related frameworks, hydrophilic pore/cation environments that adsorb more water generally produce higher proton conductivity.

Evidence basis: single_reference

Caveat: The review attributes the effect to H-bond networks but notes unresolved water positions in some cases.

p. 20 · 2.1 · Fig. 6

Consensus SummaryHigh supportTransport Mechanism

Hydroxide-water MOF systems are interpreted as OH- conduction through proton back transfer along hydrogen-bonded OH-/H2O networks.

Evidence basis: multi_reference

Caveat: Hydroxide incorporation requires alkaline-stable frameworks, and pore aperture can raise activation energy.

p. 22 · 2.2 · Fig. 11

Author InterpretationHigh supportCaveat

Computational studies of proton mobility inside MOF pores remain scarce compared with experimental conductivity reports.

Evidence basis: review_reasoning

Caveat: The review discusses a small number of water-mediated examples rather than a general computational survey.

p. 29 · 3.4

Author InterpretationHigh supportStructure Property Link

Crystalline MOFs are valuable model platforms because they can reveal pore hydrogen-bond networks that are difficult to visualise in amorphous proton conductors.

Evidence basis: review_reasoning

Caveat: X-ray methods may still poorly resolve hydrogen positions, so neutron and NMR methods are often needed for dynamics.

p. 18 · 2.1

Author InterpretationHigh supportCaveat

Ammonia is attractive as a water-like conducting medium but its corrosive gas-phase chemistry makes robust host frameworks essential.

Evidence basis: review_reasoning

Caveat: Much ammonia-mediated MOF literature actually involves NH4+-H2O rather than a pure NH4+-NH3 degenerate system.

p. 18 · 1. Introduction

Author InterpretationHigh supportStructure Property Link

MOF stability under NH3 correlates with metal-node inertness/oxophilicity, linker strength and ligand length, so stability design is inseparable from conductivity design.

Evidence basis: multi_reference

Caveat: Thermal stability does not guarantee ammonia stability.

p. 23 · 3.1 · Table 1

Author InterpretationHigh supportTransport Mechanism

NH4+ counterions contribute not only extra carrier concentration but also local hydrogen bonding that facilitates proton transfer.

Evidence basis: single_reference

Caveat: Based on comparison with K+ substitution in a closely related framework.

p. 25 · 3.2.1 · Fig. 14

Author InterpretationHigh supportConsensus

The review's concluding design factors for high proton conductivity are hydrophilic channels, acid species in pores/frameworks, and defect or disordered sites.

Evidence basis: review_reasoning

Caveat: The claim is a review synthesis and should guide chapter framing, not replace primary study comparison.

p. 31 · 4. Conclusions and prospects

Consensus SummaryHigh supportMeasurement Interpretation

QENS and solid-state NMR are highlighted as powerful probes for the local and diffusive motions of protic species in MOF pores.

Evidence basis: multi_reference

Caveat: Hydrogen positions and motions can remain difficult to connect to macroscopic conductivity without complementary structural analysis.

p. 27 · 3.3

Author InterpretationMedium supportSynthesis Strategy

Low-pKa acid groups such as sulfonic acid are especially effective because they can stoichiometrically generate hydronium when water coexists.

Evidence basis: multi_reference

Caveat: Exact water positions may remain undetermined, so mechanistic assignments can be indirect.

p. 21 · 2.2

Consensus SummaryHigh supportConsensus

Water is the dominant proton-conducting medium in MOFs because it combines a degenerate conjugate acid-base system with strong tetrahedral hydrogen-bonding capability.

Evidence basis: multi_reference

Caveat: The review distinguishes water-mediated MOFs from amorphous polymer electrolytes where inner H-bond structures are harder to visualise.

p. 17 · 1. Introduction · Scheme 1

Secondary benchmarks

Every row remains visibly secondary and links to a primary dossier only where the mapping is verified.

MaterialPropertyReported valueContext and qualityPrimary evidenceReview source
SecondaryCa-PiPhtA-NH3proton conductivity6.6 x 10^-3 S cm^-124 C, 98% RH
Text · Exact Reported
No verified corpus mappingp. 26 · 3.2.2 · Fig. 16
SecondaryCo imidazole-dicarboxylate MOFs 1 and 2proton conductivity2.89 x 10^-2 and 4.25 x 10^-2 S cm^-1100 C, 7.4 M aqueous-NH3 vapour
Text · Exact Reported
No verified corpus mappingp. 26 · 3.2.2 · Fig. 17
SecondaryEt-FeCr oxalate frameworkproton conductivityabove 10^-4 S cm^-125 C, 80% RH
Text · Approximate
No verified corpus mappingp. 20 · 2.1 · Fig. 6
SecondaryFJU-66[EVIm]OHionic conductivity5.7 x 10^-2 S cm^-130 C, 95% RH
Text · Exact Reported
No verified corpus mappingp. 22 · 2.2 · Fig. 12
Secondary(NH4)2(H2adp)[Zn2(ox)3] hydration-state seriesproton conductivity tunability10^-12 to 10^-2 S cm^-125 C; anhydrate to trihydrate/98% RH states
Text · Range
research_0324p. 19 · 2.1 · Figs. 3-4
Secondary(NH4)2(H2adp)[Zn2(ox)3].3H2Oproton conductivity0.8 x 10^-2 S cm^-125 C, 98% RH
Text · Exact Reported
research_0220p. 19 · 2.1 · Fig. 2
SecondaryK2(H2adp)[Zn2(ox)3].3H2Oproton conductivity1.2 x 10^-4 S cm^-125 C, 98% RH
Text · Exact Reported
No verified corpus mappingp. 25 · 3.2.1 · Fig. 14
SecondaryMIL-53(Al)-(COOH)2 under NH3NH3-mediated proton conductivity4.9 x 10^-7 S cm^-1 at 100 kPa NH3; 2.56 x 10^-5 S cm^-1 under saturated NH3 pressure298 K and 100 kPa NH3 for table value; saturated NH3 pressure at 290 K for higher value
Table · Exact Reported
No verified corpus mappingp. 27 · 3.2.3 · Table 2
Secondary(NH4)4[MnCr2(ox)6].4H2Oproton conductivity1.1 x 10^-3 S cm^-1; improved to 1.7 x 10^-3 S cm^-196% RH; improved at 313 K
Text · Exact Reported
No verified corpus mappingp. 25 · 3.2.1 · Fig. 15
SecondaryNBu4-ZIF-8-OHionic conductivity2.3 x 10^-8 S cm^-199% RH, 25 C
Text · Exact Reported
research_0464p. 21 · 2.2 · Fig. 10
Secondary[Ni2(m-pymca)3]OH.nH2Oionic conductivity0.8 x 10^-4 S cm^-199% RH, 27 C
Text · Exact Reported
No verified corpus mappingp. 21 · 2.2 · Fig. 11
SecondaryUiO-66-(SO3H)2proton conductivity0.84 x 10^-1 S cm^-180 C, 90% RH
Text · Exact Reported
No verified corpus mappingp. 21 · 2.2 · Fig. 8

Research gaps

Open questions are presented as review-author priorities, not conclusions from the primary database.

Computational mechanism studies

Medium

There are few computational studies of proton mobility inside MOF pores compared with experimental conductivity reports.

Proposed direction: Extend MD/aMS-EVB and related simulations across more framework structures and conducting media.

p. 31 · 3.4

NH3-mediated MOF mechanism

High

Structural analysis of NH3-confined MOFs remains scarce because high-conductivity NH3/H2O conditions often challenge MOF stability.

Proposed direction: Develop robust MOFs and operando/guest-sensitive structural methods that can resolve NH3, NH4+ and water arrangements.

p. 31 · 4. Conclusions and prospects

Practical durability

High

High proton conductivity must be balanced with MOF stability in water, NH3 and redox environments for practical fuel-cell use.

Proposed direction: Prioritise inert/oxophilic metal species, strong bonds, and stability tests under relevant humid, ammonia and redox conditions.

p. 31 · 4. Conclusions and prospects

Aqueous-NH3 treated MOFs

Medium

Some aqueous-NH3 enhanced conductors lack resolved treated-sample structures and guest compositions.

Proposed direction: Pair conductivity tests with crystallographic, spectroscopic and compositional analysis after NH3/H2O exposure.

p. 26 · 3.2.2

Cited-study map

Mappings show which printed review references have a verified counterpart in the frozen primary corpus.

Show 19 cited-study records
ReferenceStudyRole and contextCorpus mapping
Ref. 362015Title unavailablesynthesis_strategy · transport_benchmarkPost-synthetic sulfonic-acid functionalisation of UiO-66 is used to illustrate strong-acid proton donation in humid MOF channels.Unmapped
Ref. 372011Title unavailablematerial_family · transport_benchmarkMIL-53 derivatives with different functional groups are cited for pKa and acid-group control of proton conduction.Unmapped
Ref. 442004Title unavailablemechanism_contextUsed for detailed hydronium-water conduction mechanism involving Zundel and Eigen species.Unmapped
Ref. 472009Title unavailabletransport_benchmark · structure_propertyFoundational crystalline oxalate-honeycomb example with ammonium, water and carboxylic acid H-bond network and high humid conductivity.research_0220
Ref. 482014Title unavailablehydration_state · structure_propertyHydrate/dihydrate/anhydrate comparison used for conductivity control by H-bond network change.research_0324
Ref. 492012Title unavailablehydrophilicity · transport_benchmarkCation hydrophilicity series used to link water adsorption, H-bond networks and conductivity.Unmapped
Ref. 522014Title unavailablehydroxide_conduction · synthesis_strategyBasic design of hydroxide-ion-conductive MOFs using salt inclusion in ZIF-8.research_0464
Ref. 552016Title unavailablehydroxide_conduction · transport_benchmarkCationic MOF containing OH- and water in 1-D channels, used for OH--H2O conduction evidence.Unmapped
Ref. 562017Title unavailablehydroxide_conduction · transport_benchmarkHydroxide salts in alkaline-stable FJU-66 are cited for high OH-/water conductivity.Unmapped
Ref. 622014Title unavailablestability · table_benchmarkSystematic NH3 stability study of multiple MOFs, summarised in the review's Table 1.Unmapped
Ref. 662018Title unavailablestability · ammonia_adsorptionIsoreticular MOF ammonia adsorption and stability comparison supporting metal kinetic inertness arguments.Unmapped
Ref. 712014Title unavailablecounterion_comparison · transport_benchmarkNH4+ versus K+ substitution study used to show the functional role of ammonium H-bonding.Unmapped
Ref. 722011Title unavailableammonium_counterion · transport_benchmark3-D chiral oxalate network with ammonium and water in channels, used as humid NH4+-mediated proton-conduction example.Unmapped
Ref. 732014Title unavailableaqueous_nh3 · transport_benchmarkCalcium phosphonate framework treated with aqueous NH3, used to illustrate cooperative NH3-H2O adsorption and conductivity enhancement.Unmapped
Ref. 742017Title unavailableaqueous_nh3 · transport_benchmarkAqueous-NH3 concentration study in water-channel Co MOFs, used for synergy and mechanism caveats.Unmapped
Ref. 76201810.26434/chemrxiv.7319273.v110.26434/chemrxiv.7319273.v1anhydrous_nh3 · nmr · transport_benchmarkAnhydrous NH3-mediated conductivity and NMR dynamics in functionalised MIL-53(Al), cited as first crystallographic analysis example.Unmapped
Ref. 772014Title unavailableqens · dynamicsNeutron scattering study connecting NH4+ and water dynamics with phase transition and proton conduction.Unmapped
Ref. 782013Title unavailablecomputational_mechanismMD/aMS-EVB water-mediated proton mobility simulation in MIL-53(Cr).Unmapped
Ref. 812016Title unavailableqens · computational_mechanism · transport_benchmarkJoint QENS/MD study of water-mediated proton transfer in carboxylic-acid UiO-66, used for diffusion and mechanism discussion.research_0236