Publications

2024

Magic Angle Spinning Solid-State 13C Photochemically Induced Dynamic Nuclear Polarization by a Synthetic Donor-Chromophore-Acceptor System at 9.4 T

F. De Biasi; M. A. Hope; Y. Qiu; P. J. Brown; M. Visegradi et al. 

Journal Of Physical Chemistry Letters

2024-05-15

Vol. 15 , num. 20, p. 5488-5494.

DOI : 10.1021/acs.jpclett.4c01121

Optimal sensitivity for 1H detected relayed DNP of organic solids at fast MAS

S. Badoni; P. Berruyer; L. Emsley 

Journal Of Magnetic Resonance

2024-02-23

Vol. 360 , p. 107645.

DOI : 10.1016/j.jmr.2024.107645

Speciation of Lanthanide Metal Ion Dopants in Microcrystalline All-Inorganic Halide Perovskite CsPbCl3

D. J. Kubicki; D. Prochowicz; A. Hofstetter; A. Ummadisingu; L. Emsley 

Journal Of The American Chemical Society

2024-03-28

Vol. 146 , num. 14, p. 9554-9563.

DOI : 10.1021/jacs.3c11427

Axial-Equatorial Halide Ordering in Layered Hybrid Perovskites from Isotropic-Anisotropic 207Pb NMR

M. A. Hope; M. Cordova; A. Mishra; U. Gunes; A. Caiazzo et al. 

Angewandte Chemie-International Edition

2024-02-19

DOI : 10.1002/anie.202314856

Rational Design of Dinitroxide Polarizing Agents for Dynamic Nuclear Polarization to Enhance Overall NMR Sensitivity

A. Venkatesh; G. Casano; R. Wei; Y. Rao; H. Lingua et al. 

Angewandte Chemie-International Edition

2024-01-24

DOI : 10.1002/anie.202317337

2023

A General Method for The Structure Determination of Amorphous Drugs By NMR

M. Cordova; P. Moutzouri; S. O. N. Lill; A. Cousen; M. Kearns et al. 

Acta Crystallographica A-Foundation And Advances

2023-07-01

p. A40-A40

Atomic-level structure determination of amorphous molecular solids by NMR

M. Cordova; P. Moutzouri; S. O. Nilsson Lill; A. Cousen; M. Kearns et al. 

Nature Communications

2023-08-23

Vol. 14 , num. 1, p. 5138.

DOI : 10.1038/s41467-023-40853-2

Barriers to resolution in 1H NMR of rotating solids

B. S. de Almeida; D. Torodii; P. Moutzouri; L. Emsley 

Journal Of Magnetic Resonance

2023-09-28

Vol. 355 , p. 107557.

DOI : 10.1016/j.jmr.2023.107557

Hierarchy of the Components in Spray-Dried, Protein-Excipient Particles Using DNP-Enhanced NMR Spectroscopy

P. Berruyer; M. Lindkvist; S. Gracin; T. Starciuc; A. Bertarello et al. 

Molecular Pharmaceutics

2023-10-02

Vol. 20 , num. 11, p. 5682-5689.

DOI : 10.1021/acs.molpharmaceut.3c00539

Development of strategies to improve 1H resolution in NMR of solids at 100 kHz magic-angle spinning

B. Simões de Almeida / Director(s) : D. L. Emsley 

Lausanne: EPFL

2023

p. 251.

DOI : 10.5075/epfl-thesis-10556

NMR Crystallography in the Big Data Era: New Methods and Applications Powered by Machine Learning

M. Cordova / Director(s) : D. L. Emsley 

Lausanne: EPFL

2023

p. 232.

DOI : 10.5075/epfl-thesis-10371

Dynamic nuclear polarisation of 1H in Gd-doped In(OH)3

M. A. Hope; Y. Zhang; A. Venkatesh; L. Emsley 

Journal Of Magnetic Resonance

2023-06-16

Vol. 353 , p. 107509.

DOI : 10.1016/j.jmr.2023.107509

Chemical Shift-Dependent Interaction Maps in Molecular Solids

M. Cordova; L. Emsley 

Journal Of The American Chemical Society

2023-07-13

Vol. 145 , num. 29, p. 16109-16117.

DOI : 10.1021/jacs.3c04538

Dynamic Nuclear Polarization of Inorganic Halide Perovskites

A. Mishra; M. A. Hope; G. Stevanato; D. J. Kubicki; L. Emsley 

The Journal of Physical Chemistry C

2023

Vol. 127 , num. 23, p. 11094-11102.

DOI : 10.1021/acs.jpcc.3c01527

Dynamic Nuclear Polarization of Inorganic Halide Perovskites

A. Mishra; M. A. Hope; G. Stevanato; D. J. Kubicki; L. Emsley 

2023

Improvements in Resolution of 1H NMR of Solids

B. S. de Almeida; L. Emsley 

Chimia

2023-04-01

Vol. 77 , num. 4, p. 212-216.

DOI : 10.2533/chimia.2023.212

Deuterated TEKPol Biradicals and the Spin-Diffusion Barrier in MAS DNP

A. Venkatesh; G. Casano; Y. Rao; F. De Biasi; F. A. Perras et al. 

Angewandte Chemie International Edition

2023-05-24

DOI : 10.1002/anie.202304844

Light-Induced Halide Segregation in 2D and Quasi-2D Mixed-Halide Perovskites

K. Datta; A. Caiazzo; M. A. Hope; J. Li; A. Mishra et al. 

Acs Energy Letters

2023-03-03

DOI : 10.1021/acsenergylett.3c00160

Cooperative passivation of perovskite solar cells by alkyldimethylammonium halide amphiphiles

E. A. R. Alharbi; A. Krishna; N. Lempesis; M. Dankl; I. Mosquera-Lois et al. 

Joule

2023

Vol. 7 , num. 1, p. 183-200.

DOI : 10.1016/j.joule.2022.11.013

Two-dimensional Pure Isotropic Proton Solid State NMR

P. Moutzouri; M. Cordova; B. S. de Almeida; D. Torodii; L. Emsley 

Angewandte Chemie-International Edition

2023-04-18

Vol. 62 , num. 21, p. e202301963.

DOI : 10.1002/anie.202301963

Imaging radial distribution functions of complex particles by relayed dynamic nuclear polarization

P. Berruyer; C. Cibaka-Ndaya; A. Pinon; C. Sanchez; G. L. Drisko et al. 

2023-03-21

Imaging Radial Distribution Functions of Complex Particles by Relayed Dynamic Nuclear Polarization

P. Berruyer; C. Cibaka-Ndaya; A. Pinon; C. Sanchez; G. L. Drisko et al. 

Journal of the American Chemical Society

2023-04-19

DOI : 10.1021/jacs.3c01279

Pure Isotropic Proton NMR Spectra in Solids using Deep Learning

M. Cordova; P. Moutzouri; B. S. de Almeida; D. Torodii; L. Emsley 

Angewandte Chemie-International Edition

2023-01-13

Vol. 62 , num. 8, p. e202216607.

DOI : 10.1002/anie.202216607

A Complete Picture of Cation Dynamics in Hybrid Perovskite Materials from Solid-State NMR Spectroscopy

A. Mishra; M. A. Hope; M. Gratzel; L. Emsley 

Journal Of The American Chemical Society

2023

Vol. 145 , num. 2, p. 978–990.

DOI : 10.1021/jacs.2c10149

2022

Interplay of Kinetic and Thermodynamic Reaction Control Explains Incorporation of Dimethylammonium Iodide into CsPbI3

A. Mishra; D. J. Kubicki; A. Boziki; R. D. Chavan; M. Dankl et al. 

Acs Energy Letters

2022-08-12

Vol. 7 , num. 8, p. 2745-2752.

DOI : 10.1021/acsenergylett.2c00877

Atomic-Level Structure of Zinc-Modified Cementitious Calcium Silicate Hydrate

A. Morales-Melgares; Z. Casar; P. Moutzouri; A. Venkatesh; M. Cordova et al. 

Journal Of The American Chemical Society

2022-12-12

Vol. 144 , num. 50, p. 22915–22924.

DOI : 10.1021/jacs.2c06749

Magnetic Resonance and Hyperpolarization Methods for Perovskite Photovoltaics

A. Mishra / Director(s) : D. L. Emsley 

Lausanne: EPFL

2022

p. 135.

DOI : 10.5075/epfl-thesis-10046

A Machine Learning Model of Chemical Shifts for Chemically and Structurally Diverse Molecular Solids

M. Cordova; E. A. Engel; A. Stefaniuk; F. Paruzzo; A. Hofstetter et al. 

Journal Of Physical Chemistry C

2022-09-22

Vol. 126 , num. 39, p. 16710–16720.

DOI : 10.1021/acs.jpcc.2c03854

Dynamic Nuclear Polarization Enables NMR of Surface Passivating Agents on Hybrid Perovskite Thin Films

A. Mishra; M. A. Hope; M. Almalki; L. Pfeifer; S. M. Zakeeruddin et al. 

Journal Of The American Chemical Society

2022-08-24

Vol. 144 , num. 33, p. 15175-15184.

DOI : 10.1021/jacs.2c05316

H-1 Hyperpolarization of Solutions by Overhauser Dynamic Nuclear Polarization with C-13-H-1 Polarization Transfer

Y. Rao; A. Venkatesh; P. Moutzouri; L. Emsley 

Journal Of Physical Chemistry Letters

2022-08-25

Vol. 13 , num. 33, p. 7749-7755.

DOI : 10.1021/acs.jpclett.2c01956

Reply to “Inconsistencies in the specific nucleobase pairing motif prone to photodimerization in a MOF nanoreactor”

S. L. Anderson; P. G. Boyd; A. Gladysiak; T. N. Nguyen; R. G. Palgrave et al. 

Nature Communications

2022-08-02

Vol. 13 , num. 1, p. 4486.

DOI : 10.1038/s41467-022-30193-y

Design Principles for the Development of Gd(III) Polarizing Agents for Magic Angle Spinning Dynamic Nuclear Polarization

Y. Rao; C. T. Palumbo; A. Venkatesh; M. Keener; G. Stevanato et al. 

Journal Of Physical Chemistry C

2022-07-05

Vol. 126 , num. 27, p. 11310-11317.

DOI : 10.1021/acs.jpcc.2c01721

H-1 Detected Relayed Dynamic Nuclear Polarization

P. Berruyer; A. Bertarello; S. Bjoergvinsdottir; M. Lelli; L. Emsley 

Journal Of Physical Chemistry C

2022-05-05

Vol. 126 , num. 17, p. 7564-7570.

DOI : 10.1021/acs.jpcc.2c01077

De Novo Crystal Structure Determination from Machine Learned Chemical Shifts

M. Balodis; M. Cordova; A. Hofstetter; G. M. Day; L. Emsley 

Journal Of The American Chemical Society

2022-04-27

Vol. 144 , num. 16, p. 7215-7223.

DOI : 10.1021/jacs.1c13733

In-Cell Quantification of Drugs by Magic-Angle Spinning Dynamic Nuclear Polarization NMR

A. Bertarello; P. Berruyer; M. Artelsmair; C. S. Elmore; S. Heydarkhan-Hagvall et al. 

Journal Of The American Chemical Society

2022-04-20

Vol. 144 , num. 15, p. 6734-6741.

DOI : 10.1021/jacs.1c12442

Spatial Distribution of Functional Groups in Cellulose Ethers by DNP-Enhanced Solid-State NMR Spectroscopy

P. Berruyer; P. Moutzouri; M. Gericke; D. Jakobi; M. Bardet et al. 

Macromolecules

2022-04-12

Vol. 55 , num. 7, p. 2952-2958.

DOI : 10.1021/acs.macromol.2c00061

Efficient and Stable Large Bandgap MAPbBr(3) Perovskite Solar Cell Attaining an Open Circuit Voltage of 1.65 V

H. Zhu; L. Pan; F. T. Eickemeyer; M. A. Hope; O. Ouellette et al. 

Acs Energy Letters

2022-03-11

Vol. 7 , num. 3, p. 1112-1119.

DOI : 10.1021/acsenergylett.1c02431

Hyperpolarized Solution-State NMR Spectroscopy with Optically Polarized Crystals

T. R. Eichhorn; A. J. Parker; F. Josten; C. Mueller; J. Scheuer et al. 

Journal Of The American Chemical Society

2022-02-16

Vol. 144 , num. 6, p. 2511-2519.

DOI : 10.1021/jacs.1c09119

Colloidal-ALD Grown Hybrid Shells Nucleate via a Ligand–Precursor Complex

O. Segura Lecina; M. A. Hope; A. Venkatesh; S. Björgvinsdóttir; K. Rossi et al. 

Journal of the American Chemical Society

2022

Vol. 144 , num. 9, p. 3998–4008.

DOI : 10.1021/jacs.1c12538

New methods for structure determination and speciation by NMR crystallography

M. Balodis / Director(s) : D. L. Emsley 

Lausanne: EPFL

2022

p. 173.

DOI : 10.5075/epfl-thesis-9004

2021

Solid-state NMR spectroscopy

B. Reif; S. E. Ashbrook; L. Emsley; M. Hong 

Nature Reviews Methods Primers

2021-01-14

Vol. 1 , num. 1, p. 2.

DOI : 10.1038/s43586-020-00002-1

Structure determination of amorphous molecular solids by NMR crystallography

L. Emsley 

Acta Crystallographica A-Foundation And Advances

2021-08-01

p. C465-C465

DOI : 10.1107/S0108767321092217

Theory and simulations of homonuclear three-spin systems in rotating solids

B. S. de Almeida; P. Moutzouri; G. Stevanato; L. Emsley 

Journal Of Chemical Physics

2021-08-28

Vol. 155 , num. 8, p. 084201.

DOI : 10.1063/5.0055583

Multi-Length Scale Structure of 2D/3D Dion-Jacobson Hybrid Perovskites Based on an Aromatic Diammonium Spacer

A. Ummadisingu; A. Mishra; D. J. Kubicki; T. LaGrange; A. Ducinskas et al. 

Small

2021-11-23

p. 2104287.

DOI : 10.1002/smll.202104287

Bayesian probabilistic assignment of chemical shifts in organic solids

M. Cordova; M. Balodis; B. S. de Almeida; M. Ceriotti; L. Emsley 

Science Advances

2021-11-01

Vol. 7 , num. 48, p. eabk2341.

DOI : 10.1126/sciadv.abk2341

Endogenous O-17 Dynamic Nuclear Polarization of Gd-Doped CeO2 from 100 to 370 K

M. A. Hope; S. Bjorgvinsdottir; D. M. Halat; G. Menzildjian; Z. Wang et al. 

Journal Of Physical Chemistry C

2021-09-02

Vol. 125 , num. 34, p. 18799-18809.

DOI : 10.1021/acs.jpcc.1c04479

Naphthalenediimide/Formamidinium-Based Low-Dimensional Perovskites

A. Mishra; P. Ahlawat; G. C. Fish; F. Jahanbakhshi; M. Mladenovic et al. 

Chemistry of Materials

2021-08-11

Vol. 33 , num. 16, p. 6412-6420.

DOI : 10.1021/acs.chemmater.1c01635

NMR spectroscopy probes microstructure, dynamics and doping of metal halide perovskites

D. J. Kubicki; S. D. Stranks; C. P. Grey; L. Emsley 

Nature Reviews Chemistry

2021-08-13

Vol. 5 , p. 624–645.

DOI : 10.1038/s41570-021-00309-x

Nanoscale Phase Segregation in Supramolecular π-Templating for Hybrid Perovskite Photovoltaics from NMR Crystallography

M. A. Hope; T. Nakamura; P. Ahlawat; A. Mishra; M. Cordova et al. 

Journal of the American Chemical Society

2021-01-14

Vol. 143 , num. 3, p. 1529-1538.

DOI : 10.1021/jacs.0c11563

Quantification of magic angle spinning dynamic nuclear polarization NMR spectra

A. Bertarello; P. Berruyer; U. Skantze; S. Sardana; M. Sardana et al. 

Journal of Magnetic Resonance

2021-06-28

Vol. 329 , p. 107030.

DOI : 10.1016/j.jmr.2021.107030

Pure Isotropic Proton Solid State NMR

P. Moutzouri; B. S. de Almeida; D. Torodii; L. Emsley 

Journal Of The American Chemical Society

2021-07-07

Vol. 143 , num. 26, p. 9834-9841.

DOI : 10.1021/jacs.1c03315

The Atomic-Level Structure of Cementitious Calcium Aluminate Silicate Hydrate Determined by NMR

P. Moutzouri; L. Emsley 

Chimia

2021-04-01

Vol. 75 , num. 4, p. 272-275.

DOI : 10.2533/chimia.2021.272

Bulk Hyperpolarization of Inorganic Materials

S. Bjorgvinsdottir; L. Emsley 

Chimia

2021-04-01

Vol. 75 , num. 4, p. 333-337.

DOI : 10.2533/chimia.2021.333

Structure determination of an amorphous drug through large-scale NMR predictions

M. Cordova; M. Balodis; A. Hofstetter; F. Paruzzo; S. O. N. Lill et al. 

Nature Communications

2021-05-20

Vol. 12 , num. 1, p. 2964.

DOI : 10.1038/s41467-021-23208-7

Decoupling the effects of defects on efficiency and stability through phosphonates in stable halide perovskite solar cells

H. Xie; Z. Wang; Z. Chen; C. Pereyra; M. Pols et al. 

Joule

2021-05-19

Vol. 5 , num. 5, p. 1246-1266.

DOI : 10.1016/j.joule.2021.04.003

High Sensitivity Detection of a Solubility Limiting Surface Transformation of Drug Particles by DNP SENS

J. Viger-Gravel; A. C. Pinon; S. Bjoergvinsdottir; U. Skantze; A. S. Ankarberg et al. 

Journal Of Pharmaceutical Sciences

2021-06-01

Vol. 110 , num. 6, p. 2452-2456.

DOI : 10.1016/j.xphs.2020.12.037

Multimodal host–guest complexation for efficient and stable perovskite photovoltaics

H. Zhang; F. T. Eickemeyer; Z. Zhou; M. Mladenović; F. Jahanbakhshi et al. 

Nature Communications

2021-06-07

Vol. 12 , num. 1, p. 3383.

DOI : 10.1038/s41467-021-23566-2

Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells

J. Jeong; M. Kim; J. Seo; H. Lu; P. Ahlawat et al. 

Nature

2021-04-05

Vol. 592 , num. 7854, p. 381-385.

DOI : 10.1038/s41586-021-03406-5

Benzylammonium‐Mediated Formamidinium Lead Iodide Perovskite Phase Stabilization for Photovoltaics

A. Q. Alanazi; M. H. Almalki; A. Mishra; D. J. Kubicki; Z. Wang et al. 

Advanced Functional Materials

2021-05-19

p. 2101163.

DOI : 10.1002/adfm.202101163

Two-step immobilization of metronidazole prodrug on TEMPO cellulose nanofibrils through thiol-yne click chemistry for in situ controlled release

H. Durand; I. Baussanne; M. Demeunynck; J. Viger-Gravel; L. Emsley et al. 

Carbohydrate Polymers

2021-06-15

Vol. 262 , p. 117952.

DOI : 10.1016/j.carbpol.2021.117952

MAS NMR Studies of Hierarchical Interplay in Protein Dynamics

B. Busi / Director(s) : D. L. Emsley 

Lausanne: EPFL

2021

p. 125.

DOI : 10.5075/epfl-thesis-8172

Similarities and Differences among Protein Dynamics Studied by Variable Temperature Nuclear Magnetic Resonance Relaxation

B. Busi; J. R. Yarava; A. Bertarello; F. Freymond; W. Adamski et al. 

Journal Of Physical Chemistry B

2021-03-11

Vol. 125 , num. 9, p. 2212-2221.

DOI : 10.1021/acs.jpcb.0c10188

Advanced characterization of regioselectively substituted methylcellulose model compounds by DNP enhanced solid-state NMR spectroscopy

P. Berruyer; M. Gericke; P. Moutzouri; D. Jakobi; M. Bardet et al. 

Carbohydrate Polymers

2021-03-15

Vol. 262 , p. 117944.

DOI : 10.1016/j.carbpol.2021.117944

Unravelling the Behavior of Dion-Jacobson Layered Hybrid Perovskites in Humid Environments

A. Ducinskas; G. Y. Kim; D. Moia; A. Senocrate; Y-R. Wang et al. 

Acs Energy Letters

2021-02-12

Vol. 6 , num. 2, p. 337-344.

DOI : 10.1021/acsenergylett.0c02344

Scaling analyses for hyperpolarization transfer across a spin-diffusion barrier and into bulk solid media

N. A. Prisco; A. C. Pinon; L. Emsley; B. F. Chmelka 

Physical Chemistry Chemical Physics

2021-01-14

Vol. 23 , num. 2, p. 1006-1020.

DOI : 10.1039/d0cp03195j

A Magic Angle Spinning Activated O-17 DNP Raser

M. A. Hope; S. Bjorgvinsdottir; C. P. Grey; L. Emsley 

Journal Of Physical Chemistry Letters

2021-01-14

Vol. 12 , num. 1, p. 345-349.

DOI : 10.1021/acs.jpclett.0c03457

Iron incorporation in synthetic precipitated calcium silicate hydrates

J. Siramanont; B. J. Walder; L. Emsley; P. Bowen 

Cement and Concrete Research

2021-01-26

Vol. 142 , p. 106365.

DOI : 10.1016/j.cemconres.2021.106365

Hyperpolarization of inorganic solids

S. Björgvinsdóttir / Director(s) : D. L. Emsley 

Lausanne: EPFL

2021

p. 135.

DOI : 10.5075/epfl-thesis-8117

2020

Crown Ether Modulation Enables over 23% Efficient Formamidinium-Based Perovskite Solar Cells

T-S. Su; F. T. Eickemeyer; M. A. Hope; F. Jahanbakhshi; M. Mladenovic et al. 

Journal Of The American Chemical Society

2020-11-25

Vol. 142 , num. 47, p. 19980-19991.

DOI : 10.1021/jacs.0c08592

Multimodal Response to Copper Binding in Superoxide Dismutase Dynamics

M. Bonaccorsi; M. J. Knight; T. Le Marchand; H. R. W. Dannatt; T. Schubeis et al. 

Journal Of The American Chemical Society

2020-11-18

Vol. 142 , num. 46, p. 19660-19667.

DOI : 10.1021/jacs.0c09242

Hyperpolarization transfer pathways in inorganic materials

S. Björgvinsdóttir; P. Moutzouri; B. J. Walder; N. Matthey; L. Emsley 

Journal of Magnetic Resonance

2020-12-05

Vol. 323 , p. 106888.

DOI : 10.1016/j.jmr.2020.106888

Fast remote correlation experiments for 1H homonuclear decoupling in solids

P. Moutzouri; B. Simões de Almeida; L. Emsley 

Journal of Magnetic Resonance

2020-10-22

Vol. 321 , p. 106856.

DOI : 10.1016/j.jmr.2020.106856

Vapor-assisted deposition of highly efficient, stable black-phase FAPbI(3) perovskite solar cells

H. Lu; Y. Liu; P. Ahlawat; A. Mishra; W. R. Tress et al. 

Science

2020-10-02

Vol. 370 , num. 6512, p. eabb898574.

DOI : 10.1126/science.abb8985

Dynamic Nuclear Polarization Enhancement of 200 at 21.15 T Enabled by 65 kHz Magic Angle Spinning

P. Berruyer; S. Björgvinsdóttir; A. Bertarello; G. Stevanato; Y. Rao et al. 

Journal of Physical Chemistry Letters

2020-09-22

Vol. 11 , num. 19, p. 8386-8391.

DOI : 10.1021/acs.jpclett.0c02493

Open and Closed Radicals: Local Geometry around Unpaired Electrons Governs Magic-Angle Spinning Dynamic Nuclear Polarization Performance

G. Stevanato; G. Casano; D. J. Kubicki; Y. Rao; L. Esteban Hofer et al. 

Journal of the American Chemical Society

2020

Vol. 142 , num. 39, p. 16587-16599.

DOI : 10.1021/jacs.0c04911

Cd-113 Solid-State NMR at 21.1 T Reveals the Local Structure and Passivation Mechanism of Cadmium in Hybrid and All-Inorganic Halide Perovskites

D. J. Kubicki; D. Prochowicz; A. Hofstetter; B. J. Walder; L. Emsley 

Acs Energy Letters

2020-09-11

Vol. 5 , num. 9, p. 2964-2971.

DOI : 10.1021/acsenergylett.0c01420

Sensitivity Enhancements in Lithium Titanates by Incipient Wetness Impregnation DNP NMR

S. Bjorgvinsdottir; P. Moutzouri; P. Berruyer; M. A. Hope; L. Emsley 

Journal Of Physical Chemistry C

2020-07-30

Vol. 124 , num. 30, p. 16524-16528.

DOI : 10.1021/acs.jpcc.0c05105

Enhanced Intersystem Crossing and Transient Electron Spin Polarization in a Photoexcited Pentacene–Trityl Radical

C. E. Avalos; S. Richert; E. Socie; G. Karthikeyan; G. Casano et al. 

The Journal of Physical Chemistry

2020-07-23

Vol. A124 , num. 29, p. 6068-6075.

DOI : 10.1021/acs.jpca.0c03498

The Atomic-Level Structure of Cementitious Calcium Aluminate Silicate Hydrate

A. K. Mohamed; P. Moutzouri; P. Berruyer; B. J. Walder; J. Siramanont et al. 

Journal Of The American Chemical Society

2020-06-24

Vol. 142 , num. 25, p. 11060-11071.

DOI : 10.1021/jacs.0c02988

Colloidal-ALD-Grown Core/Shell CdSe/CdS Nanoplatelets as Seen by DNP Enhanced PASS-PIETA NMR Spectroscopy

L. Piveteau; D. N. Dirin; C. P. Gordon; B. J. Walder; T-C. Ong et al. 

Nano Letters

2020-05-13

Vol. 20 , num. 5, p. 3003-3018.

DOI : 10.1021/acs.nanolett.9b04870

Local Structure and Dynamics in Methylammonium, Formamidinium, and Cesium Tin(II) Mixed-Halide Perovskites from Sn-119 Solid-State NMR

D. J. Kubicki; D. Prochowicz; E. Salager; A. Rakhmatullin; C. P. Grey et al. 

Journal Of The American Chemical Society

2020-04-29

Vol. 142 , num. 17, p. 7813-7826.

DOI : 10.1021/jacs.0c00647

TinyPols: a family of water-soluble binitroxides tailored for dynamic nuclear polarization enhanced NMR spectroscopy at 18.8 and 21.1 T

A. Lund; G. Casano; G. Menzildjian; M. Kaushik; G. Stevanato et al. 

Chemical Science

2020-03-14

Vol. 11 , num. 10, p. 2810-2818.

DOI : 10.1039/c9sc05384k

Structural and DNA binding properties of mycobacterial integration host factor mIHF

N. T. Odermatt; M. Lelli; T. Herrmann; L. A. Abriata; A. Japaridze et al. 

Journal Of Structural Biology

2020-03-01

Vol. 209 , num. 3, p. 107434.

DOI : 10.1016/j.jsb.2019.107434

Homonuclear Decoupling in H-1 NMR of Solids by Remote Correlation

P. Moutzouri; F. M. Paruzzo; B. S. de Almeida; G. Stevanato; L. Emsley 

Angewandte Chemie-International Edition

2020-02-19

Vol. 59 , num. 15, p. 6235-6238.

DOI : 10.1002/anie.201916335

Cellulose phosphorylation comparison and analysis of phosphorate position on cellulose fibers

F. Rol; C. Sillard; M. Bardet; J. R. Yarava; L. Emsley et al. 

Carbohydrate Polymers

2020-02-01

Vol. 229 , p. 115294.

DOI : 10.1016/j.carbpol.2019.115294

Intermediate Phase Enhances Inorganic Perovskite and Metal Oxide Interface for Efficient Photovoltaics

J. Zhang; Z. Wang; A. Mishra; M. Yu; M. Shasti et al. 

Joule

2020-01-15

Vol. 4 , num. 1, p. 222-234.

DOI : 10.1016/j.joule.2019.11.007

Atomistic origins of the limited phase stability of Cs+-rich FAxCs(1-x)PbI3 mixtures

A. Boziki; D. J. Kubicki; A. Mishra; S. Meloni; L. Emsley et al. 

Chemistry of Materials

2020-02-21

Vol. 32 , num. 6, p. 2605–2614.

DOI : 10.1021/acs.chemmater.0c00120

Guanine‐Stabilized Formamidinium Lead Iodide Perovskites

L. Hong; J. V. Milic; P. Ahlawat; M. Mladenovic; D. J. Kubicki et al. 

Angewandte Chemie

2020

Vol. 59 , num. 12, p. 4691-4697.

DOI : 10.1002/anie.201912051

Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional 19F Solid-State NMR Spectroscopy

M. A. Ruiz Preciado; D. J. Kubicki; A. Hofstetter; L. McGovern; M. H. Futscher et al. 

Journal of the American Chemical Society

2020-01-08

Vol. 142 , num. 3, p. 1645-1654.

DOI : 10.1021/jacs.9b13701

2019

Topology of Pretreated Wood Fibers Using Dynamic Nuclear Polarization

J. Viger-Gravel; W. Lan; A. C. Pinon; P. Berruyer; L. Emsley et al. 

Journal Of Physical Chemistry C

2019-12-19

Vol. 123 , num. 50, p. 30407-30415.

DOI : 10.1021/acs.jpcc.9b09272

New Approaches to NMR Crystallography

F. M. Paruzzo / Director(s) : D. L. Emsley 

Lausanne: EPFL

2019

p. 168.

DOI : 10.5075/epfl-thesis-7523

Advanced Computational Methods for NMR Crystallography

A. Hofstetter / Director(s) : D. L. Emsley 

Lausanne: EPFL

2019

p. 241.

DOI : 10.5075/epfl-thesis-7463

High-resolution H-1 NMR of powdered solids by homonuclear dipolar decoupling

F. M. Paruzzo; L. Emsley 

Journal Of Magnetic Resonance

2019-12-01

Vol. 309 , p. 106598.

DOI : 10.1016/j.jmr.2019.106598

A Bayesian approach to NMR crystal structure determination

E. A. Engel; A. Anelli; A. Hofstetter; F. M. Paruzzo; L. Emsley et al. 

Physical Chemistry Chemical Physics

2019

Vol. 21 , num. 42, p. 23385-23400.

DOI : 10.1039/C9CP04489B

Atomic-Level Microstructure of Efficient Formamidinium-Based Perovskite Solar Cells Stabilized by 5-Ammonium Valeric Acid Iodide Revealed by Multinuclear and Two-Dimensional Solid-State NMR

A. Q. M. Alanazi; D. J. Kubicki; D. Prochowicz; E. A. R. Alharbi; M. E. F. Bouduban et al. 

Journal of the American Chemical Society

2019-10-08

Vol. 141 , num. 44, p. 17659-17669.

DOI : 10.1021/jacs.9b07381

Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints

A. Hofstetter; M. Balodis; F. M. Paruzzo; C. M. Widdifield; G. Steyanato et al. 

Journal of The American Chemical Society

2019-10-23

Vol. 141 , num. 42, p. 16624-16634.

DOI : 10.1021/jacs.9b03908

Ba-induced phase segregation and band gap reduction in mixed-halide inorganic perovskite solar cells

W. Xiang; Z. Wang; D. J. Kubicki; X. Wang; W. Tress et al. 

Nature Communications

2019-10-15

Vol. 10 , p. 4686.

DOI : 10.1038/s41467-019-12678-5

Measurement of Proton Spin Diffusivity in Hydrated Cementitious Solids

B. J. Walder; N. A. Prisco; F. M. Paruzzo; J. R. Yarava; B. F. Chmelka et al. 

Journal of Physical Chemistry Letters

2019-09-05

Vol. 10 , num. 17, p. 5064-5069.

DOI : 10.1021/acs.jpclett.9b01861

Solid-state NMR approaches to lead halide perovskites

D. Kubicki; D. Prochowicz; A. Hofstetter; M. Graetzel; L. Emsley 

Abstracts Of Papers Of The American Chemical Society

2019-03-31

National Meeting of the American-Chemical-Society (ACS), Orlando, FL, Mar 31-Apr 04, 2019.

Characterization of semiconductor nanocrystals using advanced NMR spectroscopy

L. Piveteau; T-C. Ong; B. Walder; D. Dirin; D. Moscheni et al. 

Abstracts Of Papers Of The American Chemical Society

2019-03-31

National Meeting of the American-Chemical-Society (ACS), Orlando, FL, Mar 31-Apr 04, 2019.