Results 201 to 210 of about 151,666 (287)

Cadmium and Zinc‐Doped p‐type Sb2Se3 Single Crystals and Solar Cells

Advanced Energy and Sustainability Research, EarlyView.
Cd and Zn were assessed as candidate p‐type dopants in Sb2Se3 single crystals in concentrations between 1016‐1020 cm−3. Both are effective in inducing p‐type conductivity, however Cd doped crystals exhibit lower resistivity across a wider range of dopant levels.
Thomas P. Shalvey, Theodore D. C. Hobson, Frank Herklotz, Reelika Kaupmees, Aeshah A. Almushawwah, Bradley G. Lewis, Christopher H. Don, Sean R. Kavanagh, David O. Scanlon, Vin Dhanak, Maarja Grossberg‐Kuusk, Eduard Lavrov, Ken Durose, Jonathan D. Major   +13 more
wiley   +1 more source

Temperature Dependence of Poly(3-hydroxybutyrate-<i>co</i>-3-hydroxyhexanoate) Biodegradation in Agricultural Soils. [PDF]

Environ Sci Technol
Laszakovits JR, Arn S, Kägi R, Liechti S, Wille F, McNeill K, Sander M.   +6 more
europepmc   +1 more source

A multiscale Bayesian optimization framework for process and material codesign

AIChE Journal, EarlyView.
Abstract The simultaneous design of processes and enabling materials such as solvents, catalysts, and adsorbents is challenging because molecular‐ and process‐level decisions are strongly interdependent. Sequential approaches often yield suboptimal results since improvements in material properties may not translate into superior process performance. We
Michael Baldea
wiley   +1 more source

Select Configurational Dynamics in Ethanolamine Ammonia-Lyase Radical Enzyme Catalysis. [PDF]

ACS Phys Chem Au
Li W, Stewart AM, Warncke K.
europepmc   +1 more source

Sequential Monte Carlo with likelihood tempering and parallel implementation for uncertainty quantification

AIChE Journal, EarlyView.
Abstract Bayesian estimation enables uncertainty quantification, but analytical implementation is often intractable. As an approximate approach, the Markov Chain Monte Carlo (MCMC) method is widely used, though it entails a high computational cost due to frequent evaluations of the likelihood function.
Tatsuki Maruchi, Tomoyuki Yajima, Yoshiaki Kawajiri   +2 more
wiley   +1 more source

Superprotonic Conduction in Donor Co-Doped Perovskites. [PDF]

Angew Chem Int Ed Engl
Umeda K, Saito K, Honda T, Yashima M.
europepmc   +1 more source

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Advanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy, Ram Devanathan, Sarah Allec, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Duane D. Johnson, Ganesh Balasubramanian, Ayoub Soulami   +8 more
wiley   +1 more source

Slowing Down Zinc Electrodeposition Kinetics Can Maximize and Compromise Anode Stability: How Slow Is Too Slow?

Angewandte Chemie, EarlyView.
Zinc anode performance is maximized within an optimal deposition‐kinetic window. Additives that tune the deposition exchange current density (i0,Dep) suppress HER at intermediate values, but overly fast kinetics promote dendrites and overly slow kinetics accelerate corrosion/HER.
Md. Arif Faisal, Taizhe Liu, Ashutosh Rana, James H. Nguyen, Saptarshi Paul, Ashutosh Bhadouria, Brian M. Tackett, Jeffrey E. Dick   +7 more
wiley   +2 more sources