Selected publications

Origin of the Large Entropy Change in the Molecular Caloric and Ferroelectric Ammonium Sulfate (Adv. Funct. Mater. 45/2022)
Yuan S, Meijer BE, Cai G et al.
Advanced Functional Materials, Volume 32, issue 45, page 2270257, 3rd November 2022.
DOI: 10.1002/adfm.202270257

Hydrogen-bond-mediated structural variation of metal guanidinium formate hybrid perovskites under pressure
Yang Z, Cai G, Bull CL et al.
Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences, Volume 377, issue 2149, page 20180227, 15th July 2019.
DOI: 10.1098/rsta.2018.0227

Local structure of a switchable dielectric Prussian blue analogue
Duncan HD, Beake EOR, Playford HY et al.
CrystEngComm, 29th November 2017.
DOI: 10.1039/C7CE01883E

Crossover Between Tilt Families and Zero Area Thermal Expansion in Hybrid Prussian Blue Analogues
PHILLIPS AE, fortes A
Angewandte Chemie International Edition, 30th October 2017.
DOI: 10.1002/anie.201708514

Magnetic structure and spin wave excitations in the multiferroic metal-organic framework (CD3)ND2[Mn(DCO2)3]
Walker HC, Duncan HD, Le MD et al.
Physical review B: Condensed matter and materials physics, 19th September 2017.
DOI: 10.1103/PhysRevB.96.094423

Local structure of the metal–organic perovskite dimethylammonium manganese( ii ) formate
Duncan HD, Dove MT, Keen DA et al.
Dalton Trans., Volume 45, issue 10, page 4380, 5th January 2016.
DOI: 10.1039/C5DT03687A

Common origin of negative thermal expansion and other exotic properties in ceramic and hybrid materials
Fang H, Dove MT, Phillips AE
PHYSICAL REVIEW B, Volume 89, issue 21, 1st January 2014.
DOI: 10.1103/PhysRevB.89.214103

2024

Correction: Local structure and lithium-ion diffusion pathway of cubic Li 7 La 3 Zr 2 O 12 studied by total scattering and the Reverse Monte Carlo method
Tian H, Cai G, Tan L et al.
Journal of Materials Chemistry A, Volume 12, issue 3, page 1862, 16th January 2024.
DOI: 10.1039/d3ta90219f

Electronic origin of negative thermal expansion in samarium hexaboride revealed by X-ray diffraction and total scattering
Li L, Dove MT, Wei Z et al.
Physical Chemistry Chemical Physics, 19th February 2024.
DOI: 10.1039/d3cp05954e

Orientational order/disorder and network flexibility in deuterated methylammonium lead iodide perovskite by neutron total scattering
Liu J, Du J, Wyatt PB et al.
Journal of Materials Chemistry A, Volume 12, issue 5, page 2771, 30th January 2024.
DOI: 10.1039/d3ta04586b

On (not) deriving the entropy of barocaloric phase transitions from crystallography and neutron spectroscopy
Phillips AE, Walker HC
Journal of Physics Energy, Volume 6, issue 1, page 011001, 1st January 2024.
DOI: 10.1088/2515-7655/ad0d00

2023

A hypothetical polymorph of copper(II) guanidinium formate
Yuan S, Stroppa A, Phillips AE
APL Materials, Volume 11, issue 6, page 061114, 1st June 2023.
DOI: 10.1063/5.0150012

Which phonons contribute most to negative thermal expansion in ScF3?
Dove MT, Wei Z, Phillips AE et al.
APL Materials, Volume 11, issue 4, page 041130, 1st April 2023.
DOI: 10.1063/5.0147610

A new avenue to relaxor-like ferroelectric behaviour found by probing the structure and dynamics of [NH 3 NH 2 ]Mg(HCO 2 ) 3
Hitchings TJ, Wickins HM, Peat GUL et al.
Journal of Materials Chemistry C, Volume 11, issue 28, page 9695, 20th July 2023.
DOI: 10.1039/d3tc00480e

Dynamics in the ordered and disordered phases of barocaloric adamantane
Meijer BE, Dixey RJC, Demmel F et al.
Physical Chemistry Chemical Physics, Volume 25, issue 13, page 9282, 29th March 2023.
DOI: 10.1039/d2cp05412d

Local structure and lithium-ion diffusion pathway of cubic Li 7 La 3 Zr 2 O 12 studied by total scattering and the Reverse Monte Carlo method
Tian H, Cai G, Tan L et al.
Journal of Materials Chemistry A, Volume 11, issue 46, page 25516, 28th November 2023.
DOI: 10.1039/d3ta04495e

Structure and thermal property relationships in the thermomaterial di- n -butylammonium tetrafluoroborate for multipurpose cooling and cold-storage
García-Ben J, Bermúdez-García JM, Dixey RJC et al.
Journal of Materials Chemistry A, Volume 11, issue 41, page 22232, 24th October 2023.
DOI: 10.1039/d3ta04063a

2022

Origin of the Large Entropy Change in the Molecular Caloric and Ferroelectric Ammonium Sulfate (Adv. Funct. Mater. 45/2022)
Yuan S, Meijer BE, Cai G et al.
Advanced Functional Materials, Volume 32, issue 45, page 2270257, 3rd November 2022.
DOI: 10.1002/adfm.202270257

Further adventures of the perovskite family
Phillips AE
IUCrJ, Volume 9, issue Pt 5, page 533, 1st September 2022.
DOI: 10.1107/s2052252522008673

Origin of the Large Entropy Change in the Molecular Caloric and Ferroelectric Ammonium Sulfate
Yuan S, Meijer BE, Cai G et al.
Advanced Functional Materials, Volume 32, issue 45, 1st November 2022.
DOI: 10.1002/adfm.202207717

Pressure dependence of rotational dynamics in barocaloric ammonium sulfate
Meijer BE, Cai G, Demmel F et al.
Physical Review B, Volume 106, issue 6, page 064302, 1st August 2022.
DOI: 10.1103/physrevb.106.064302

Atomic structure of the continuous random network of amorphous C[(C6H4)2]2 PAF-1
Cai G, Lin H, Zhao Z et al.
Cell Reports Physical Science, Volume 3, issue 6, page 100899, 1st June 2022.
DOI: 10.1016/j.xcrp.2022.100899

Orientational disorder in sulfur hexafluoride: a neutron total scattering and reverse Monte Carlo study
Zhang S, Qin Y, Zhang S et al.
Journal of Physics Condensed Matter, Volume 34, issue 29, page 295401, 20th July 2022.
DOI: 10.1088/1361-648x/ac6b74

Neutron powder-diffraction study of phase transitions in strontium-doped bismuth ferrite: 1. Variation with chemical composition
Ma Z, Tan L, Huang H et al.
Journal of Physics Condensed Matter, Volume 34, issue 25, page 255401, 23rd June 2022.
DOI: 10.1088/1361-648x/ac6389

Retrospectively evidencing research impact using online data mining
White CD, Phillips A, Sajonia-Coburgo-Gotha B
Research for All, Volume 6, issue 1, page e06107, 1st March 2022.
DOI: 10.14324/rfa.06.1.07

Pressure dependence of atomic dynamics in barocaloric ammonium sulfate: II. Vibrations
Yuan S, Meijer BE, Cai G et al.
17th February 2022.

Pressure dependence of atomic dynamics in barocaloric ammonium sulfate: II. Vibrations
Yuan S, Meijer BE, Cai G et al.
17th February 2022.
DOI: 10.48550/arxiv.2202.08606

Neutron powder diffraction study of the phase transitions in deuterated methylammonium lead iodide
Liu J, Du J, Phillips AE et al.
Journal of Physics: Condensed Matter, Volume 34, issue 14, 31st January 2022.
DOI: 10.1088/1361-648X/ac4aa9

Origin of the large entropy change in the molecular caloric and ferroelectric ammonium sulfate
Meijer BE, Yuan S, Cai G et al.
7th January 2022.
DOI: 10.48550/arxiv.2201.02548

Orientational order and phase transitions in deuterated methane: a neutron total scattering and reverse Monte Carlo study
Qin Y, Zhang S, Zhang S et al.
Journal of Physics Condensed Matter, Volume 34, issue 1, page 015401, 5th January 2022.
DOI: 10.1088/1361-648x/ac2db8

2021

Soft-mode anisotropy in the negative thermal expansion material ReO3
Bird TA, Wilkinson MGL, Keen DA et al.
Physical Review B, Volume 104, issue 21, page 214102, 1st December 2021.
DOI: 10.1103/physrevb.104.214102

Phonons and low thermal expansion in sodalite zinc borate Zn4B6O12X(X=O,S,Se)
Wei Z, Jiang X, Phillips AE et al.
Physical Review B, Volume 104, issue 17, page 174310, 1st November 2021.
DOI: 10.1103/physrevb.104.174310

Colossal Reversible Barocaloric Effects in Layered Hybrid Perovskite (C10H21NH3)2MnCl4 under Low Pressure Near Room Temperature
Li J, Barrio M, Dunstan DJ et al.
Advanced Functional Materials, Volume 31, issue 46, 1st November 2021.
DOI: 10.1002/adfm.202105154

Disorder and dynamics of free and caged molecules in crystals
Cai G, Demmel F, Dixey R et al.
Acta Crystallographica Section A: Foundations and advances, Volume 77, issue a2, page c463, 14th August 2021.
DOI: 10.1107/s0108767321092230

Octahedral tilting in Prussian blue analogues
Boström HLB, Brant WR, Phillips AE
Acta Crystallographica Section A: Foundations and advances, Volume 77, issue a2, page c131, 14th August 2021.
DOI: 10.1107/s0108767321095490

Atomic structure of the continuous random network of amorphous C[(C6H4)2]2, PAF-1
Cai G, Lin H, Zhao Z et al.
13th August 2021.
DOI: 10.48550/arxiv.2108.06257

What happened, and who cared? Evidencing research impact retrospectively
White CD, Phillips A, Sajonia-Coburgo-Gotha B
11th March 2021.

Universal L−3 finite-size effects in the viscoelasticity of amorphous systems
Phillips AE, Baggioli M, Sirk TW et al.
Physical Review Materials, Volume 5, issue 3, page 035602, 1st March 2021.
DOI: 10.1103/physrevmaterials.5.035602

Advanced characterisation techniques: multi-scale, in situ , and time-resolved: general discussion
Brammer L, Burrows AD, Chong SY-L et al.
Faraday Discussions, Volume 225, page 152, 4th February 2021.
DOI: 10.1039/d0fd90032j

Materials breaking the rules: general discussion
Addicoat M, Bennett TD, Brammer L et al.
Faraday Discussions, Volume 225, page 255, 4th February 2021.
DOI: 10.1039/d0fd90033h

Towards complex systems and devices: general discussion
Baretta R, Brammer L, Burrows AD et al.
Faraday Discussions, Volume 225, page 431, 4th February 2021.
DOI: 10.1039/d0fd90036b

2020

Cyano-bridged perovskite [(CH3)3NOH]2[KM(CN)6],[M: Fe(III), and Co(III)] for high-temperature multi-axialferroelectric applications with enhanced thermaland nonlinear optical performance
Rok M, Ciz ̇man A, Zarychta B et al.
Journal of Materials Chemistry C, 4th November 2020.
DOI: 10.1039/D0TC04527F

Quantitative understanding of negative thermal expansion in scandium trifluoride from neutron total scattering measurements
Dove MT, Du J, Wei Z et al.
Physical Review B, Volume 102, issue 9, page 094105, 1st September 2020.
DOI: 10.1103/physrevb.102.094105

Colossal Pressure-Induced Softening in Scandium Fluoride
Wei Z, Tan L, Cai G et al.
Physical Review Letters, Volume 124, issue 25, page 255502, 26th June 2020.
DOI: 10.1103/physrevlett.124.255502

Neutron scattering study of the orientational disorder and phase transitions in barium carbonate
Cai G, Phillips AE, Tucker MG et al.
Journal of Physics Condensed Matter, Volume 32, issue 37, page 374014, 2nd September 2020.
DOI: 10.1088/1361-648x/ab8cde

Neutron scattering study of the orientational disorder in potassium cyanide
Cai G, Phillips AE, Keen DA et al.
Journal of Physics Communications, Volume 4, issue 2, page 023001, 1st February 2020.
DOI: 10.1088/2399-6528/ab7318

Rotational dynamics of the imidazolium ion in cyanide-bridged dielectric framework materials
Phillips AE, Cai G, Demmel F
Chemical Communications, Volume 56, issue 79, page 11791, 11th October 2020.
DOI: 10.1039/d0cc05238h

2019

Structural study of bismuth ferrite BiFeO3 by neutron total scattering and the reverse Monte Carlo method
Du J, Phillips AE, Arnold DC et al.
Physical Review B, Volume 100, issue 10, 16th September 2019.
DOI: 10.1103/PhysRevB.100.104111

Thermal Disorder and Bond Anharmonicity in Cesium Lead Iodide Studied by Neutron Total Scattering and the Reverse Monte Carlo Method
Liu J, Phillips AE, Keen DA et al.
Journal of Physical Chemistry C, 28th May 2019.
DOI: 10.1021/acs.jpcc.9b02936

Hydrogen-bond-mediated structural variation of metal guanidinium formate hybrid perovskites under pressure
Yang Z, Cai G, Bull CL et al.
Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences, Volume 377, issue 2149, page 20180227, 15th July 2019.
DOI: 10.1098/rsta.2018.0227

Introduction: minerals to MOFs
PHILLIPS AE
Philosophical Transactions A: Mathematical, Physical and Engineering Sciences, 27th May 2019.
DOI: 10.1098/rsta.2019.0153

2018

Rigid units revisited
PHILLIPS AE
Acta Crystallographica Section A: Foundations of Crystallography, Volume 74, issue 5, page 406, 4th September 2018.
DOI: 10.1107/S2053273318012007

2017

Local structure of dielectric framework materials
Phillips A, Duncan H, Dove M et al.
Acta Crystallographica Section A: Foundations and advances, Volume 73, issue a2, page c71, 1st December 2017.
DOI: 10.1107/s2053273317094992

Local structure of lead halide perovskites for photovoltaic applications
Liu J, Phillips A, Dove M
Acta Crystallographica Section A: Foundations and advances, Volume 73, issue a2, page c1117, 1st December 2017.
DOI: 10.1107/s2053273317084571

Local structure of a switchable dielectric Prussian blue analogue
Duncan HD, Beake EOR, Playford HY et al.
CrystEngComm, 29th November 2017.
DOI: 10.1039/C7CE01883E

Crossover between Tilt Families and Zero Area Thermal Expansion in Hybrid Prussian Blue Analogues
Phillips AE, Fortes AD
Angewandte Chemie, Volume 129, issue 50, page 16166, 11th December 2017.
DOI: 10.1002/ange.201708514

Crossover Between Tilt Families and Zero Area Thermal Expansion in Hybrid Prussian Blue Analogues
PHILLIPS AE, fortes A
Angewandte Chemie International Edition, 30th October 2017.
DOI: 10.1002/anie.201708514

Magnetic structure and spin wave excitations in the multiferroic metal-organic framework (CD3)ND2[Mn(DCO2)3]
Walker HC, Duncan HD, Le MD et al.
Physical review B: Condensed matter and materials physics, 19th September 2017.
DOI: 10.1103/PhysRevB.96.094423

Local structure study of the orbital order/disorder transition in LaMnO3
Thygesen PMM, Young CA, Beake EOR et al.
Physical Review B, Volume 95, issue 17, page 174107, 1st May 2017.
DOI: 10.1103/physrevb.95.174107

Local structure of dielectric framework materials
Phillips A, Duncan H, Dove M et al.
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, Volume 73, page C71, 1st January 2017.
DOI: 10.1107/S2053273317094992

Local structure of lead halide perovskites for photovoltaic applications
Liu J, Phillips A, Dove M
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, Volume 73, page C1117, 1st January 2017.
DOI: 10.1107/S2053273317084571

2016

Orientational disorder in adamantane and adamantanecarboxylic acid
beake EOR, tucker M, dove MT et al.
ChemPhysChem: a European journal of chemical physics and physical chemistry, 21st December 2016.
DOI: 10.1002/cphc.201601219

Control of Multipolar and Orbital Order in Perovskite-like [C(NH2)3]CuxCd1-x(HCOO)3 Metal-Organic Frameworks.
Evans NL, Thygesen PMM, Boström HLB et al.
J Am Chem Soc, Volume 138, issue 30, page 9393, 3rd August 2016.
DOI: 10.1021/jacs.6b05208

Local structure of the metal–organic perovskite dimethylammonium manganese( ii ) formate
Duncan HD, Dove MT, Keen DA et al.
Dalton Trans., Volume 45, issue 10, page 4380, 5th January 2016.
DOI: 10.1039/C5DT03687A

In situ studies of materials for high temperature CO 2 capture and storage
Dunstan MT, Maugeri SA, Liu W et al.
Faraday Discussions, Volume 192, page 217, 20th October 2016.
DOI: 10.1039/c6fd00047a

2015

Electric ordering in metal-organic perovskites from total neutron scattering
Duncan HD, Phillips AE, Dove MT et al.
Acta Crystallographica Section A: Foundations and advances, Volume 71, issue a1, page s95, 23rd August 2015.
DOI: 10.1107/s2053273315098617

Local atomic and magnetic structure of 1D spin-chains in multiferroic copper guanidinium formate
Phillips AE, Drew AJ
Acta Crystallographica Section A: Foundations and advances, Volume 71, issue a1, page s488, 23rd August 2015.
DOI: 10.1107/s2053273315092827

2014

Comparing the dynamics of coordination polyhedra in a metal-cyanide framework
Phillips A
Acta Crystallographica Section A: Foundations and advances, Volume 70, issue a1, page c590, 5th August 2014.
DOI: 10.1107/s2053273314094091

Intermolecular interactions in molecular crystals and glasses
Beake E, Dove M, Phillips A
Acta Crystallographica Section A: Foundations and advances, Volume 70, issue a1, page c862, 5th August 2014.
DOI: 10.1107/s2053273314091372

Measurement of bitumen viscosity in a room-temperature drop experiment: student education, public outreach and modern science in one
Widdicombe AT, Ravindrarajah P, Sapelkin A et al.
Physics Education, Volume 49, issue 4, page 406, 1st July 2014.
DOI: 10.1088/0031-9120/49/4/406

Common origin of negative thermal expansion and other exotic properties in ceramic and hybrid materials
Fang H, Dove MT, Phillips AE
PHYSICAL REVIEW B, Volume 89, issue 21, 1st January 2014.
DOI: 10.1103/PhysRevB.89.214103

2013

Flexibility of zeolitic imidazolate framework structures studied by neutron total scattering and the reverse Monte Carlo method.
Beake EOR, Dove MT, Phillips AE et al.
J Phys Condens Matter, Volume 25, issue 39, page 395403, 2nd October 2013.
DOI: 10.1088/0953-8984/25/39/395403

Comparing the dynamics of coordination polyhedra in a metal–cyanide framework
Phillips AE
Acta Crystallographica Section A: Foundations and advances, Volume 69, issue a1, page s575, 25th August 2013.
DOI: 10.1107/s0108767313095019

L2,3-edge x-ray absorption near-edge spectroscopy analysis of photoisomerism in solid ruthenium-sulfur dioxide complexes.
Phillips AE, Cole JM, Low KS et al.
J Phys Condens Matter, Volume 25, issue 8, page 085505, 27th February 2013.
DOI: 10.1088/0953-8984/25/8/085505

Heat capacity of matter beyond the Dulong-Petit value
Andritsos EI, Zarkadoula E, Phillips AE et al.
J. Phys.: Cond. Matt, Volume 25, page 235401, 14th February 2013.
DOI: 10.1088/0953-8984/25/23/235401

Temperature-dependent pressure-induced softening in Zn(CN)₂
Fang H, Phillips AE, Dove MT et al.
PHYSICAL REVIEW B, Volume 88, issue 14, 1st January 2013.
DOI: 10.1103/PhysRevB.88.144103

2012

Bayesian analysis of the evidence for minor components in crystallographic models: an alternative to the Hamilton R test.
Phillips AE, Cole JM
Acta Crystallogr A, Volume 68, issue Pt 3, page 324, 1st May 2012.
DOI: 10.1107/S0108767312010094

ChemInform Abstract: Ru—OSO Coordination Photogenerated at 100 K in Tetraammineaqua(sulfur dioxide)ruthenium(II) (.+‐.)‐Camphorsulfonate.
Phillips AE, Cole JM, d'Almeida T et al.
ChemInform, Volume 43, issue 16, page no, 17th April 2012.
DOI: 10.1002/chin.201216003

Ru-OSO coordination photogenerated at 100 K in tetraammineaqua(sulfur dioxide)ruthenium(II) (±)-camphorsulfonate.
Phillips AE, Cole JM, d'Almeida T et al.
Inorg Chem, Volume 51, issue 3, page 1204, 6th February 2012.
DOI: 10.1021/ic2021808

First principles study of 3d transition metal doped Cu₃N
Cui XY, Soon A, Phillips AE et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, Volume 324, issue 19, page 3138, 1st January 2012.
DOI: 10.1016/j.jmmm.2012.05.021

2011

Photorefractivity via linkage isomerism: from detecting small responses to engineering large ones
Phillips AE, Cole JM
Acta Crystallographica Section A: Foundations and advances, Volume 67, issue a1, page c179, 22nd August 2011.
DOI: 10.1107/s0108767311095547

Time-resolved photo-crystallography of ruthenium sulfur dioxide complexes
Cole JM, Phillips AE
Acta Crystallographica Section A: Foundations and advances, Volume 67, issue a1, page c177, 22nd August 2011.
DOI: 10.1107/s0108767311095596

2010

Effects of the reaction cavity on metastable optical excitation in ruthenium-sulfur dioxide complexes
Phillips AE, Cole JM, d'Almeida T et al.
PHYS REV B, Volume 82, issue 15, 12th October 2010.
DOI: 10.1103/PhysRevB.82.155118

Photo-crystallography meets optoelectronic structures and reaction energetics
Cole JM, Phillips A, d'Almeida T et al.
Acta Crystallographica Section A: Foundations and advances, Volume 66, issue a1, page s88, 29th August 2010.
DOI: 10.1107/s0108767310098119

ChemInform Abstract: Zero Thermal Expansion in a Flexible, Stable Framework: Tetramethylammonium Copper(I) Zinc(II) Cyanide.
Phillips AE, Halder GJ, Chapman KW et al.
ChemInform, Volume 41, issue 21, page no, 25th May 2010.
DOI: 10.1002/chin.201021024

Zero thermal expansion in a flexible, stable framework: tetramethylammonium copper(I) zinc(II) cyanide.
Phillips AE, Halder GJ, Chapman KW et al.
J Am Chem Soc, Volume 132, issue 1, page 10, 13th January 2010.
DOI: 10.1021/ja906895j

2008

Metastable photoisomerism in materials targeted for optical data storage
Phillips AE, Cole JM
Acta Crystallographica Section A: Foundations and advances, Volume 64, issue a1, page c50, 23rd August 2008.
DOI: 10.1107/s0108767308098395

Nanoporosity and Exceptional Negative Thermal Expansion in Single‐Network Cadmium Cyanide
Phillips AE, Goodwin AL, Halder GJ et al.
Angewandte Chemie, Volume 120, issue 8, page 1418, 8th February 2008.
DOI: 10.1002/ange.200704421

Nanoporosity and exceptional negative thermal expansion in single-network cadmium cyanide.
Phillips AE, Goodwin AL, Halder GJ et al.
Angew Chem Int Ed Engl, Volume 47, issue 8, page 1396, 1st January 2008.
DOI: 10.1002/anie.200704421

The ω3 scaling of the vibrational density of states in quasi-2D nanoconfined solids
Yu Y, Yang C, Baggioli M et al.
Nature Communications, Volume 13, issue 1, page 3649, DOI: 10.1038/s41467-022-31349-6

First-Principles Study of Structure and Magnetism in Copper(II)-Containing Hybrid Perovskites
Gonçalves JN, Phillips AE, Li W et al.
Crystals, Volume 10, issue 12, page 1129, DOI: 10.3390/cryst10121129