Results 161 to 170 of about 101,057 (252)

MYTHOS: A Python Interface for Surface Crystal Structure Prediction of Organic Semiconductors. [PDF]

J Chem Inf Model
Lorini E, Walzer K, Pfeiffer M, Muccioli L.   +3 more
europepmc   +1 more source

Non‐Monotonic Changes in the Thermal Conductivity of Conjugated Polymer Films with Increasing Levels of Chemical Doping

Advanced Functional Materials, EarlyView.
Thermal conductivity changes non‐monotonically as regioregular (RR) and regiorandom (RRa) P3HT films are doped with F4TCNQ as a function of the extent to which P3HT is doped: an increase in thermal conductivity is observed upon lightly doping P3HT compared to the undoped film, followed by a decrease in the heavily doped regime. ABSTRACT The performance
Reid W. Wilson, Xinping Shi, Diego Garcia Vidales, Abigail Slimp, Zerina Mehmedović, Alexander F. Simafranca, Eric C. Wu, Sarah H. Tolbert, Richard B. Wilson, Benjamin J. Schwartz   +9 more
wiley   +1 more source

Assessing Polymorph Stability and Phase Transitions at Finite Temperature: Integrating Crystal Structure Prediction, Lattice Dynamics, and Molecular Dynamics. [PDF]

J Chem Theory Comput
Correa GB, Konstantinopoulos S, Tan BI, Zhang Y, Tavares FW, Adjiman CS, Maginn EJ.   +6 more
europepmc   +1 more source

A theoretical framework for the design of molecular crystal engines. [PDF]

Chem Sci, 2023
Cook CJ, Li W, Lui BF, Gately TJ, Al-Kaysi RO, Mueller LJ, Bardeen CJ, Beran GJO.   +7 more
europepmc   +1 more source

Single‐Step Recovery of Water from Stable Crude Oil‐Water Emulsion Using Surface Engineered Hybrid Inorganic‐Polymer Membranes

Advanced Functional Materials, EarlyView.
Atomic layer deposition is used to conformally surface engineer polymeric membranes to fabricate inorganic–organic hybrid membranes. These membranes have exceptionally strong attraction toward water even in high oil containing emulsions, which leads to an extremely strong hydration layer at the interface.
Bratin Sengupta, Yining Liu, Gaurab Sarkar, Rouke Cai, Katrina Sparks, Chi Thang Nguyen, Tamar Segal‐Peretz, Seth B. Darling, Jeffrey W. Elam   +8 more
wiley   +1 more source

Gate‐Programmable Linearization of Atomically Thin Nanoelectromechanical Resonators via Duffing Nonlinearity Cancellation

Advanced Functional Materials, EarlyView.
Gate bias is used to cancel Duffing nonlinearity in atomically thin MoS2 drumhead resonators, switching their response from hardening to softening and creating a nearly linear operating point. This electrical control suppresses hysteresis, enables stronger linear drive, and improves signal‐to‐noise ratio, offering a practical route to stable 2D NEMS ...
Pengcheng Zhang, Miroslav Haluska, Cosmin Roman, Christofer Hierold   +3 more
wiley   +1 more source

Rich polymorphism in nicotinamide revealed by melt crystallization and crystal structure prediction. [PDF]

Commun Chem, 2020
Li X, Ou X, Wang B, Rong H, Wang B, Chang C, Shi B, Yu L, Lu M.   +8 more
europepmc   +1 more source

Performance Enhancement of Tin Chloride‐Incorporated Ferroelectric Polymer‐Based Artificial Synapse for Hardware Neural Networks

Advanced Functional Materials, EarlyView.
This paper proposes a highly efficient ferroelectric artificial synapse device based on an oxide semiconductor and SnCl2‐inserted P(VDF‐TrFE) gate dielectric layer. This FeFET significantly improved the synaptic performance due to the ion‐dipole interaction.
Hyun‐Soo Kim, Hyunkyu Lee, Yeonho Choi, Won Young Jang, Hyungmin Kim, Krishna Moorthy Ponnusamy, Hongseung Lee, Jaewook Yoo, Ji Ye Lee, S. Chandramohan, Seongin Hong, Hagyoul Bae, Hyeon‐Sik Jang, Sang Yeol Lee, Keun Heo   +14 more
wiley   +1 more source

Ultrawide Bandwidth Optomechanical Magnetometry Using Flux Concentration

Advanced Functional Materials, EarlyView.
High‐permeability flux concentrators enable ultrawide‐bandwidth chip‐scale optomechanical magnetometry by exploiting magnetic nonlinearity to up‐convert low‐frequency fields to the mechanical resonance, where sensitivity is optimal. This enables flat wideband operation over more than four orders of magnitude, from tens of kilohertz to sub‐hertz ...
Benjamin J. Carey, Nathaniel Bawden, Fernando Gottardo, James S. Bennett, Douglas Bulla, Scott Foster, Warwick P. Bowen   +6 more
wiley   +1 more source

The seventh blind test of crystal structure prediction: structure ranking methods. [PDF]

Acta Crystallogr B Struct Sci Cryst Eng Mater
Hunnisett LM, Francia N, Nyman J, Abraham NS, Aitipamula S, Alkhidir T, Almehairbi M, Anelli A, Anstine DM, Anthony JE, Arnold JE, Bahrami F, Bellucci MA, Beran GJO, Bhardwaj RM, Bianco R, Bis JA, Boese AD, Bramley J, Braun DE, Butler PWV, Cadden J, Carino S, Červinka C, Chan EJ, Chang C, Clarke SM, Coles SJ, Cook CJ, Cooper RI, Darden T, Day GM, Deng W, Dietrich H, DiPasquale A, Dhokale B, van Eijck BP, Elsegood MRJ, Firaha D, Fu W, Fukuzawa K, Galanakis N, Goto H, Greenwell C, Guo R, Harter J, Helfferich J, Hoja J, Hone J, Hong R, Hušák M, Ikabata Y, Isayev O, Ishaque O, Jain V, Jin Y, Jing A, Johnson ER, Jones I, Jose KVJ, Kabova EA, Keates A, Kelly PF, Klimeš J, Kostková V, Li H, Lin X, List A, Liu C, Liu YM, Liu Z, Lončarić I, Lubach JW, Ludík J, Maryewski AA, Marom N, Matsui H, Mattei A, Mayo RA, Melkumov JW, Mladineo B, Mohamed S, Momenzadeh Abardeh Z, Muddana HS, Nakayama N, Nayal KS, Neumann MA, Nikhar R, Obata S, O'Connor D, Oganov AR, Okuwaki K, Otero-de-la-Roza A, Parkin S, Parunov A, Podeszwa R, Price AJA, Price LS, Price SL, Probert MR, Pulido A, Ramteke GR, Rehman AU, Reutzel-Edens SM, Rogal J, Ross MJ, Rumson AF, Sadiq G, Saeed ZM, Salimi A, Sasikumar K, Sekharan S, Shankland K, Shi B, Shi X, Shinohara K, Skillman AG, Song H, Strasser N, van de Streek J, Sugden IJ, Sun G, Szalewicz K, Tan L, Tang K, Tarczynski F, Taylor CR, Tkatchenko A, Touš P, Tuckerman ME, Unzueta PA, Utsumi Y, Vogt-Maranto L, Weatherston J, Wilkinson LJ, Willacy RD, Wojtas L, Woollam GR, Yang Y, Yang Z, Yonemochi E, Yue X, Zeng Q, Zhou T, Zhou Y, Zubatyuk R, Cole JC.   +146 more
europepmc   +1 more source